SimRNA (c) 2009-2024 Genesilico, ver. 3.33
Replica Exchange Monte Carlo Method is SWITCHED ON
10 replicas were ordered
.reading parameteres
setting random seed = 1
initiating replica nr: 1
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv1_dominio2_RNAco-039abbf2/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 166 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 166 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: 835
n_atoms_counter: 835
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 166.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv1_dominio2_RNAco-039abbf2/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 166 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 166 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: 835
n_atoms_counter: 835
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 166.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv1_dominio2_RNAco-039abbf2/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 166 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 166 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: 835
n_atoms_counter: 835
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 166.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv1_dominio2_RNAco-039abbf2/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 166 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 166 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: 835
n_atoms_counter: 835
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 166.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv1_dominio2_RNAco-039abbf2/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 166 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 166 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: 835
n_atoms_counter: 835
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 166.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv1_dominio2_RNAco-039abbf2/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 166 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 166 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: 835
n_atoms_counter: 835
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 166.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv1_dominio2_RNAco-039abbf2/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 166 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 166 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: 835
n_atoms_counter: 835
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 166.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv1_dominio2_RNAco-039abbf2/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 166 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 166 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: 835
n_atoms_counter: 835
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 166.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv1_dominio2_RNAco-039abbf2/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 166 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 166 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: 835
n_atoms_counter: 835
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 166.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
reading input pdb file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Denv1_dominio2_RNAco-039abbf2/inputs/struct.pdb
number of recognized chains: 1
chain 'A' contains: 166 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 166 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: 835
n_atoms_counter: 835
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 166.000000 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: -2032.909759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.909759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.909759 (E_RNA)
where:
Base-Base interactions energy: -1456.102
where: short stacking energy: -541.701
Base-Backbone interact. energy: -3.129
local terms energy: -573.678686
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -133.594
flat angles C4'-P-C4' energy: -124.978
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -147.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -2032.909759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.909759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.909759 (E_RNA)
where:
Base-Base interactions energy: -1456.102
where: short stacking energy: -541.701
Base-Backbone interact. energy: -3.129
local terms energy: -573.678686
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -133.594
flat angles C4'-P-C4' energy: -124.978
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -147.550
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: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -2032.909759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.909759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.909759 (E_RNA)
where:
Base-Base interactions energy: -1456.102
where: short stacking energy: -541.701
Base-Backbone interact. energy: -3.129
local terms energy: -573.678686
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -133.594
flat angles C4'-P-C4' energy: -124.978
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -147.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -2032.909759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.909759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.909759 (E_RNA)
where:
Base-Base interactions energy: -1456.102
where: short stacking energy: -541.701
Base-Backbone interact. energy: -3.129
local terms energy: -573.678686
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -133.594
flat angles C4'-P-C4' energy: -124.978
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -147.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -2032.909759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.909759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.909759 (E_RNA)
where:
Base-Base interactions energy: -1456.102
where: short stacking energy: -541.701
Base-Backbone interact. energy: -3.129
local terms energy: -573.678686
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -133.594
flat angles C4'-P-C4' energy: -124.978
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -147.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -2032.909759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.909759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.909759 (E_RNA)
where:
Base-Base interactions energy: -1456.102
where: short stacking energy: -541.701
Base-Backbone interact. energy: -3.129
local terms energy: -573.678686
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -133.594
flat angles C4'-P-C4' energy: -124.978
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -147.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -2032.909759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.909759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.909759 (E_RNA)
where:
Base-Base interactions energy: -1456.102
where: short stacking energy: -541.701
Base-Backbone interact. energy: -3.129
local terms energy: -573.678686
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -133.594
flat angles C4'-P-C4' energy: -124.978
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -147.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -2032.909759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.909759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.909759 (E_RNA)
where:
Base-Base interactions energy: -1456.102
where: short stacking energy: -541.701
Base-Backbone interact. energy: -3.129
local terms energy: -573.678686
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -133.594
flat angles C4'-P-C4' energy: -124.978
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -147.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -2032.909759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.909759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.909759 (E_RNA)
where:
Base-Base interactions energy: -1456.102
where: short stacking energy: -541.701
Base-Backbone interact. energy: -3.129
local terms energy: -573.678686
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -133.594
flat angles C4'-P-C4' energy: -124.978
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -147.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -2032.909759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.909759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.909759 (E_RNA)
where:
Base-Base interactions energy: -1456.102
where: short stacking energy: -541.701
Base-Backbone interact. energy: -3.129
local terms energy: -573.678686
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -133.594
flat angles C4'-P-C4' energy: -124.978
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -147.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -2034.041276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.041276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.041276 (E_RNA)
where:
Base-Base interactions energy: -1456.126
where: short stacking energy: -540.349
Base-Backbone interact. energy: -2.673
local terms energy: -575.242562
where:
bonds (distance) C4'-P energy: -94.454
bonds (distance) P-C4' energy: -133.351
flat angles C4'-P-C4' energy: -123.813
flat angles P-C4'-P energy: -75.999
tors. eta vs tors. theta energy: -147.625
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: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -2033.865031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.865031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.865031 (E_RNA)
where:
Base-Base interactions energy: -1456.103
where: short stacking energy: -540.337
Base-Backbone interact. energy: -2.672
local terms energy: -575.090342
where:
bonds (distance) C4'-P energy: -94.454
bonds (distance) P-C4' energy: -133.351
flat angles C4'-P-C4' energy: -123.813
flat angles P-C4'-P energy: -75.999
tors. eta vs tors. theta energy: -147.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -2032.860706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.860706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.860706 (E_RNA)
where:
Base-Base interactions energy: -1453.927
where: short stacking energy: -539.345
Base-Backbone interact. energy: -2.835
local terms energy: -576.098066
where:
bonds (distance) C4'-P energy: -95.183
bonds (distance) P-C4' energy: -133.590
flat angles C4'-P-C4' energy: -123.923
flat angles P-C4'-P energy: -75.821
tors. eta vs tors. theta energy: -147.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -2033.381060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2033.381060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2033.381060 (E_RNA)
where:
Base-Base interactions energy: -1455.375
where: short stacking energy: -542.580
Base-Backbone interact. energy: -2.677
local terms energy: -575.329128
where:
bonds (distance) C4'-P energy: -95.762
bonds (distance) P-C4' energy: -132.741
flat angles C4'-P-C4' energy: -123.349
flat angles P-C4'-P energy: -76.000
tors. eta vs tors. theta energy: -147.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -2030.970962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.970962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.970962 (E_RNA)
where:
Base-Base interactions energy: -1452.580
where: short stacking energy: -538.745
Base-Backbone interact. energy: -2.834
local terms energy: -575.556825
where:
bonds (distance) C4'-P energy: -95.183
bonds (distance) P-C4' energy: -133.590
flat angles C4'-P-C4' energy: -123.814
flat angles P-C4'-P energy: -75.358
tors. eta vs tors. theta energy: -147.611
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: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -2034.410309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2034.410309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2034.410309 (E_RNA)
where:
Base-Base interactions energy: -1454.748
where: short stacking energy: -540.869
Base-Backbone interact. energy: -2.848
local terms energy: -576.814694
where:
bonds (distance) C4'-P energy: -95.646
bonds (distance) P-C4' energy: -133.590
flat angles C4'-P-C4' energy: -123.724
flat angles P-C4'-P energy: -76.161
tors. eta vs tors. theta energy: -147.693
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: 2
Temperature: 1.200000
Total energy: -2035.393517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2035.393517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2035.393517 (E_RNA)
where:
Base-Base interactions energy: -1455.219
where: short stacking energy: -540.486
Base-Backbone interact. energy: -2.833
local terms energy: -577.341510
where:
bonds (distance) C4'-P energy: -95.655
bonds (distance) P-C4' energy: -133.590
flat angles C4'-P-C4' energy: -124.186
flat angles P-C4'-P energy: -76.238
tors. eta vs tors. theta energy: -147.673
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: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -2032.685166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2032.685166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2032.685166 (E_RNA)
where:
Base-Base interactions energy: -1454.905
where: short stacking energy: -539.739
Base-Backbone interact. energy: -2.849
local terms energy: -574.930861
where:
bonds (distance) C4'-P energy: -93.044
bonds (distance) P-C4' energy: -133.594
flat angles C4'-P-C4' energy: -124.747
flat angles P-C4'-P energy: -75.842
tors. eta vs tors. theta energy: -147.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -2030.353337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2030.353337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2030.353337 (E_RNA)
where:
Base-Base interactions energy: -1452.700
where: short stacking energy: -540.037
Base-Backbone interact. energy: -3.612
local terms energy: -574.041589
where:
bonds (distance) C4'-P energy: -95.129
bonds (distance) P-C4' energy: -132.255
flat angles C4'-P-C4' energy: -124.211
flat angles P-C4'-P energy: -75.033
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: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -2029.311741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2029.311741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2029.311741 (E_RNA)
where:
Base-Base interactions energy: -1451.819
where: short stacking energy: -539.459
Base-Backbone interact. energy: -3.611
local terms energy: -573.881085
where:
bonds (distance) C4'-P energy: -95.129
bonds (distance) P-C4' energy: -132.255
flat angles C4'-P-C4' energy: -124.050
flat angles P-C4'-P energy: -75.033
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: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -1970.982679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.982679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.982679 (E_RNA)
where:
Base-Base interactions energy: -1399.683
where: short stacking energy: -564.127
Base-Backbone interact. energy: -0.794
local terms energy: -570.505794
where:
bonds (distance) C4'-P energy: -101.570
bonds (distance) P-C4' energy: -105.433
flat angles C4'-P-C4' energy: -120.081
flat angles P-C4'-P energy: -83.170
tors. eta vs tors. theta energy: -160.251
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: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -1897.466590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.466590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.466590 (E_RNA)
where:
Base-Base interactions energy: -1366.455
where: short stacking energy: -539.226
Base-Backbone interact. energy: 0.498
local terms energy: -531.509725
where:
bonds (distance) C4'-P energy: -91.431
bonds (distance) P-C4' energy: -97.547
flat angles C4'-P-C4' energy: -120.365
flat angles P-C4'-P energy: -67.166
tors. eta vs tors. theta energy: -155.001
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: 3
Temperature: 1.000000
Total energy: -1888.846295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.846295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.846295 (E_RNA)
where:
Base-Base interactions energy: -1365.230
where: short stacking energy: -534.482
Base-Backbone interact. energy: 0.230
local terms energy: -523.845587
where:
bonds (distance) C4'-P energy: -100.805
bonds (distance) P-C4' energy: -92.222
flat angles C4'-P-C4' energy: -112.001
flat angles P-C4'-P energy: -78.962
tors. eta vs tors. theta energy: -139.855
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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -1822.934580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.934580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.934580 (E_RNA)
where:
Base-Base interactions energy: -1309.328
where: short stacking energy: -521.259
Base-Backbone interact. energy: -1.880
local terms energy: -511.726680
where:
bonds (distance) C4'-P energy: -94.304
bonds (distance) P-C4' energy: -84.746
flat angles C4'-P-C4' energy: -110.269
flat angles P-C4'-P energy: -69.441
tors. eta vs tors. theta energy: -152.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -1691.869727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.869727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.869727 (E_RNA)
where:
Base-Base interactions energy: -1204.296
where: short stacking energy: -453.277
Base-Backbone interact. energy: -2.790
local terms energy: -484.783856
where:
bonds (distance) C4'-P energy: -94.927
bonds (distance) P-C4' energy: -101.854
flat angles C4'-P-C4' energy: -100.005
flat angles P-C4'-P energy: -72.246
tors. eta vs tors. theta energy: -115.752
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: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -1701.115172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.115172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.115172 (E_RNA)
where:
Base-Base interactions energy: -1214.284
where: short stacking energy: -479.782
Base-Backbone interact. energy: -2.312
local terms energy: -484.519765
where:
bonds (distance) C4'-P energy: -96.899
bonds (distance) P-C4' energy: -85.083
flat angles C4'-P-C4' energy: -103.079
flat angles P-C4'-P energy: -66.571
tors. eta vs tors. theta energy: -132.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -1593.805308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.805308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.805308 (E_RNA)
where:
Base-Base interactions energy: -1142.928
where: short stacking energy: -425.225
Base-Backbone interact. energy: -3.109
local terms energy: -447.767905
where:
bonds (distance) C4'-P energy: -87.870
bonds (distance) P-C4' energy: -79.542
flat angles C4'-P-C4' energy: -112.124
flat angles P-C4'-P energy: -63.930
tors. eta vs tors. theta energy: -104.302
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: 8
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -1525.533989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.533989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.533989 (E_RNA)
where:
Base-Base interactions energy: -1087.894
where: short stacking energy: -403.649
Base-Backbone interact. energy: -2.948
local terms energy: -434.691089
where:
bonds (distance) C4'-P energy: -88.016
bonds (distance) P-C4' energy: -87.427
flat angles C4'-P-C4' energy: -107.536
flat angles P-C4'-P energy: -53.045
tors. eta vs tors. theta energy: -98.666
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: 9
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -1445.509899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.509899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.509899 (E_RNA)
where:
Base-Base interactions energy: -1030.834
where: short stacking energy: -411.198
Base-Backbone interact. energy: -0.016
local terms energy: -414.659460
where:
bonds (distance) C4'-P energy: -76.208
bonds (distance) P-C4' energy: -76.113
flat angles C4'-P-C4' energy: -96.482
flat angles P-C4'-P energy: -64.405
tors. eta vs tors. theta energy: -101.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -1314.902580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.902580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.902580 (E_RNA)
where:
Base-Base interactions energy: -917.263
where: short stacking energy: -359.938
Base-Backbone interact. energy: -4.455
local terms energy: -393.185098
where:
bonds (distance) C4'-P energy: -62.028
bonds (distance) P-C4' energy: -84.892
flat angles C4'-P-C4' energy: -99.284
flat angles P-C4'-P energy: -62.611
tors. eta vs tors. theta energy: -84.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -1988.971431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1988.971431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1988.971431 (E_RNA)
where:
Base-Base interactions energy: -1435.412
where: short stacking energy: -566.225
Base-Backbone interact. energy: 0.665
local terms energy: -554.224105
where:
bonds (distance) C4'-P energy: -97.567
bonds (distance) P-C4' energy: -91.789
flat angles C4'-P-C4' energy: -128.835
flat angles P-C4'-P energy: -80.366
tors. eta vs tors. theta energy: -155.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -1901.108651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.108651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.108651 (E_RNA)
where:
Base-Base interactions energy: -1347.683
where: short stacking energy: -535.532
Base-Backbone interact. energy: 0.478
local terms energy: -553.902863
where:
bonds (distance) C4'-P energy: -113.726
bonds (distance) P-C4' energy: -110.226
flat angles C4'-P-C4' energy: -111.331
flat angles P-C4'-P energy: -77.607
tors. eta vs tors. theta energy: -141.013
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: 2
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -1874.184688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.184688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.184688 (E_RNA)
where:
Base-Base interactions energy: -1340.201
where: short stacking energy: -532.882
Base-Backbone interact. energy: -1.693
local terms energy: -532.291578
where:
bonds (distance) C4'-P energy: -88.454
bonds (distance) P-C4' energy: -103.970
flat angles C4'-P-C4' energy: -120.370
flat angles P-C4'-P energy: -69.831
tors. eta vs tors. theta energy: -149.666
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: 4
Temperature: 1.050000
Total energy: -1791.490290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.490290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.490290 (E_RNA)
where:
Base-Base interactions energy: -1305.487
where: short stacking energy: -511.166
Base-Backbone interact. energy: 1.907
local terms energy: -487.910383
where:
bonds (distance) C4'-P energy: -83.235
bonds (distance) P-C4' energy: -92.624
flat angles C4'-P-C4' energy: -93.700
flat angles P-C4'-P energy: -77.161
tors. eta vs tors. theta energy: -141.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -1677.443234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.443234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.443234 (E_RNA)
where:
Base-Base interactions energy: -1201.421
where: short stacking energy: -476.364
Base-Backbone interact. energy: -4.312
local terms energy: -471.709825
where:
bonds (distance) C4'-P energy: -93.138
bonds (distance) P-C4' energy: -94.856
flat angles C4'-P-C4' energy: -101.708
flat angles P-C4'-P energy: -65.290
tors. eta vs tors. theta energy: -116.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -1651.466430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.466430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.466430 (E_RNA)
where:
Base-Base interactions energy: -1172.716
where: short stacking energy: -469.157
Base-Backbone interact. energy: -1.040
local terms energy: -477.709999
where:
bonds (distance) C4'-P energy: -78.176
bonds (distance) P-C4' energy: -100.207
flat angles C4'-P-C4' energy: -100.910
flat angles P-C4'-P energy: -80.390
tors. eta vs tors. theta energy: -118.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -1562.923794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.923794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.923794 (E_RNA)
where:
Base-Base interactions energy: -1133.250
where: short stacking energy: -444.382
Base-Backbone interact. energy: -2.975
local terms energy: -426.699215
where:
bonds (distance) C4'-P energy: -78.560
bonds (distance) P-C4' energy: -84.702
flat angles C4'-P-C4' energy: -100.422
flat angles P-C4'-P energy: -59.759
tors. eta vs tors. theta energy: -103.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -1516.376974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.376974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.376974 (E_RNA)
where:
Base-Base interactions energy: -1049.404
where: short stacking energy: -437.153
Base-Backbone interact. energy: -3.022
local terms energy: -463.951012
where:
bonds (distance) C4'-P energy: -93.962
bonds (distance) P-C4' energy: -86.035
flat angles C4'-P-C4' energy: -101.754
flat angles P-C4'-P energy: -65.367
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: 9, replica: 9
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -1427.933737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.933737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.933737 (E_RNA)
where:
Base-Base interactions energy: -1009.465
where: short stacking energy: -409.177
Base-Backbone interact. energy: -2.517
local terms energy: -415.951302
where:
bonds (distance) C4'-P energy: -94.694
bonds (distance) P-C4' energy: -78.508
flat angles C4'-P-C4' energy: -91.734
flat angles P-C4'-P energy: -56.508
tors. eta vs tors. theta energy: -94.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -1347.781014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.781014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.781014 (E_RNA)
where:
Base-Base interactions energy: -959.463
where: short stacking energy: -375.181
Base-Backbone interact. energy: 0.301
local terms energy: -388.618879
where:
bonds (distance) C4'-P energy: -72.837
bonds (distance) P-C4' energy: -84.436
flat angles C4'-P-C4' energy: -100.968
flat angles P-C4'-P energy: -49.533
tors. eta vs tors. theta energy: -80.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -1949.972497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.972497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.972497 (E_RNA)
where:
Base-Base interactions energy: -1406.481
where: short stacking energy: -547.049
Base-Backbone interact. energy: -2.474
local terms energy: -541.017425
where:
bonds (distance) C4'-P energy: -101.898
bonds (distance) P-C4' energy: -105.332
flat angles C4'-P-C4' energy: -118.329
flat angles P-C4'-P energy: -70.331
tors. eta vs tors. theta energy: -145.128
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: 3
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -1907.652575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.652575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.652575 (E_RNA)
where:
Base-Base interactions energy: -1379.589
where: short stacking energy: -538.931
Base-Backbone interact. energy: 11.147
local terms energy: -539.210525
where:
bonds (distance) C4'-P energy: -98.177
bonds (distance) P-C4' energy: -98.909
flat angles C4'-P-C4' energy: -126.250
flat angles P-C4'-P energy: -68.383
tors. eta vs tors. theta energy: -147.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -1872.600183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.600183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.600183 (E_RNA)
where:
Base-Base interactions energy: -1374.828
where: short stacking energy: -538.031
Base-Backbone interact. energy: -2.568
local terms energy: -495.204520
where:
bonds (distance) C4'-P energy: -80.779
bonds (distance) P-C4' energy: -98.924
flat angles C4'-P-C4' energy: -109.251
flat angles P-C4'-P energy: -60.850
tors. eta vs tors. theta energy: -145.400
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: 4
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -1812.569295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.569295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.569295 (E_RNA)
where:
Base-Base interactions energy: -1328.938
where: short stacking energy: -511.391
Base-Backbone interact. energy: 0.099
local terms energy: -483.729797
where:
bonds (distance) C4'-P energy: -71.981
bonds (distance) P-C4' energy: -90.851
flat angles C4'-P-C4' energy: -101.074
flat angles P-C4'-P energy: -79.331
tors. eta vs tors. theta energy: -140.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -1683.814416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.814416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.814416 (E_RNA)
where:
Base-Base interactions energy: -1207.883
where: short stacking energy: -448.500
Base-Backbone interact. energy: 0.474
local terms energy: -476.405470
where:
bonds (distance) C4'-P energy: -86.690
bonds (distance) P-C4' energy: -93.112
flat angles C4'-P-C4' energy: -108.866
flat angles P-C4'-P energy: -79.567
tors. eta vs tors. theta energy: -108.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -1678.386718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.386718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.386718 (E_RNA)
where:
Base-Base interactions energy: -1211.683
where: short stacking energy: -499.415
Base-Backbone interact. energy: -0.669
local terms energy: -466.034271
where:
bonds (distance) C4'-P energy: -82.809
bonds (distance) P-C4' energy: -82.629
flat angles C4'-P-C4' energy: -97.405
flat angles P-C4'-P energy: -65.849
tors. eta vs tors. theta energy: -137.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -1587.644521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.644521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.644521 (E_RNA)
where:
Base-Base interactions energy: -1140.876
where: short stacking energy: -455.849
Base-Backbone interact. energy: -1.808
local terms energy: -444.959905
where:
bonds (distance) C4'-P energy: -83.129
bonds (distance) P-C4' energy: -90.948
flat angles C4'-P-C4' energy: -94.300
flat angles P-C4'-P energy: -67.049
tors. eta vs tors. theta energy: -109.533
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: 5
Temperature: 1.250000
Total energy: -1486.853934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.853934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.853934 (E_RNA)
where:
Base-Base interactions energy: -1059.848
where: short stacking energy: -422.186
Base-Backbone interact. energy: -0.811
local terms energy: -426.194477
where:
bonds (distance) C4'-P energy: -82.146
bonds (distance) P-C4' energy: -85.815
flat angles C4'-P-C4' energy: -96.248
flat angles P-C4'-P energy: -62.844
tors. eta vs tors. theta energy: -99.141
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: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -1432.442474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.442474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.442474 (E_RNA)
where:
Base-Base interactions energy: -1052.529
where: short stacking energy: -405.258
Base-Backbone interact. energy: -0.926
local terms energy: -378.987242
where:
bonds (distance) C4'-P energy: -69.079
bonds (distance) P-C4' energy: -73.981
flat angles C4'-P-C4' energy: -94.071
flat angles P-C4'-P energy: -56.337
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: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -1340.351645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.351645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.351645 (E_RNA)
where:
Base-Base interactions energy: -934.255
where: short stacking energy: -367.648
Base-Backbone interact. energy: 3.093
local terms energy: -409.189246
where:
bonds (distance) C4'-P energy: -76.424
bonds (distance) P-C4' energy: -90.887
flat angles C4'-P-C4' energy: -95.348
flat angles P-C4'-P energy: -54.621
tors. eta vs tors. theta energy: -91.909
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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -1941.526558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.526558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.526558 (E_RNA)
where:
Base-Base interactions energy: -1399.710
where: short stacking energy: -538.762
Base-Backbone interact. energy: -3.892
local terms energy: -537.924412
where:
bonds (distance) C4'-P energy: -93.496
bonds (distance) P-C4' energy: -102.352
flat angles C4'-P-C4' energy: -127.736
flat angles P-C4'-P energy: -76.037
tors. eta vs tors. theta energy: -138.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -1890.422482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.422482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.422482 (E_RNA)
where:
Base-Base interactions energy: -1325.091
where: short stacking energy: -550.550
Base-Backbone interact. energy: -2.251
local terms energy: -563.079877
where:
bonds (distance) C4'-P energy: -103.700
bonds (distance) P-C4' energy: -109.990
flat angles C4'-P-C4' energy: -117.542
flat angles P-C4'-P energy: -84.011
tors. eta vs tors. theta energy: -147.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -1852.481896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.481896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.481896 (E_RNA)
where:
Base-Base interactions energy: -1327.409
where: short stacking energy: -539.258
Base-Backbone interact. energy: -3.859
local terms energy: -521.213996
where:
bonds (distance) C4'-P energy: -92.170
bonds (distance) P-C4' energy: -99.099
flat angles C4'-P-C4' energy: -112.151
flat angles P-C4'-P energy: -69.683
tors. eta vs tors. theta energy: -148.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -1771.430879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.430879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.430879 (E_RNA)
where:
Base-Base interactions energy: -1249.556
where: short stacking energy: -515.143
Base-Backbone interact. energy: 1.757
local terms energy: -523.631986
where:
bonds (distance) C4'-P energy: -90.416
bonds (distance) P-C4' energy: -90.414
flat angles C4'-P-C4' energy: -119.634
flat angles P-C4'-P energy: -79.520
tors. eta vs tors. theta energy: -143.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -1719.093729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.093729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.093729 (E_RNA)
where:
Base-Base interactions energy: -1211.517
where: short stacking energy: -478.258
Base-Backbone interact. energy: -0.880
local terms energy: -506.697533
where:
bonds (distance) C4'-P energy: -86.525
bonds (distance) P-C4' energy: -102.333
flat angles C4'-P-C4' energy: -110.830
flat angles P-C4'-P energy: -73.662
tors. eta vs tors. theta energy: -133.347
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: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -1623.355778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.355778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.355778 (E_RNA)
where:
Base-Base interactions energy: -1149.684
where: short stacking energy: -457.067
Base-Backbone interact. energy: -1.327
local terms energy: -472.344853
where:
bonds (distance) C4'-P energy: -94.312
bonds (distance) P-C4' energy: -82.708
flat angles C4'-P-C4' energy: -106.399
flat angles P-C4'-P energy: -72.858
tors. eta vs tors. theta energy: -116.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -1523.890019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.890019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.890019 (E_RNA)
where:
Base-Base interactions energy: -1087.835
where: short stacking energy: -449.278
Base-Backbone interact. energy: -0.718
local terms energy: -435.337177
where:
bonds (distance) C4'-P energy: -81.865
bonds (distance) P-C4' energy: -81.714
flat angles C4'-P-C4' energy: -88.264
flat angles P-C4'-P energy: -64.105
tors. eta vs tors. theta energy: -119.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -1499.292617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.292617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.292617 (E_RNA)
where:
Base-Base interactions energy: -1067.855
where: short stacking energy: -427.019
Base-Backbone interact. energy: -3.886
local terms energy: -427.552496
where:
bonds (distance) C4'-P energy: -69.985
bonds (distance) P-C4' energy: -101.131
flat angles C4'-P-C4' energy: -106.023
flat angles P-C4'-P energy: -62.973
tors. eta vs tors. theta energy: -87.440
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: 6
Temperature: 1.300000
Total energy: -1340.392772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.392772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.392772 (E_RNA)
where:
Base-Base interactions energy: -935.661
where: short stacking energy: -385.308
Base-Backbone interact. energy: -0.711
local terms energy: -404.021385
where:
bonds (distance) C4'-P energy: -90.662
bonds (distance) P-C4' energy: -88.138
flat angles C4'-P-C4' energy: -90.798
flat angles P-C4'-P energy: -49.841
tors. eta vs tors. theta energy: -84.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -1287.600368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.600368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.600368 (E_RNA)
where:
Base-Base interactions energy: -920.524
where: short stacking energy: -366.363
Base-Backbone interact. energy: -2.506
local terms energy: -364.570253
where:
bonds (distance) C4'-P energy: -54.206
bonds (distance) P-C4' energy: -97.539
flat angles C4'-P-C4' energy: -79.743
flat angles P-C4'-P energy: -47.818
tors. eta vs tors. theta energy: -85.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -1948.062069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.062069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.062069 (E_RNA)
where:
Base-Base interactions energy: -1397.431
where: short stacking energy: -553.581
Base-Backbone interact. energy: 1.584
local terms energy: -552.214907
where:
bonds (distance) C4'-P energy: -90.222
bonds (distance) P-C4' energy: -97.554
flat angles C4'-P-C4' energy: -120.824
flat angles P-C4'-P energy: -88.244
tors. eta vs tors. theta energy: -155.370
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: 7
Temperature: 0.950000
Total energy: -1910.394966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.394966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.394966 (E_RNA)
where:
Base-Base interactions energy: -1367.814
where: short stacking energy: -531.212
Base-Backbone interact. energy: -1.342
local terms energy: -541.238201
where:
bonds (distance) C4'-P energy: -105.388
bonds (distance) P-C4' energy: -101.114
flat angles C4'-P-C4' energy: -117.513
flat angles P-C4'-P energy: -71.904
tors. eta vs tors. theta energy: -145.319
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: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -1886.025551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.025551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.025551 (E_RNA)
where:
Base-Base interactions energy: -1355.310
where: short stacking energy: -512.166
Base-Backbone interact. energy: 7.361
local terms energy: -538.076458
where:
bonds (distance) C4'-P energy: -101.934
bonds (distance) P-C4' energy: -99.025
flat angles C4'-P-C4' energy: -111.851
flat angles P-C4'-P energy: -84.509
tors. eta vs tors. theta energy: -140.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -1769.232000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.232000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.232000 (E_RNA)
where:
Base-Base interactions energy: -1264.813
where: short stacking energy: -464.557
Base-Backbone interact. energy: -2.205
local terms energy: -502.214255
where:
bonds (distance) C4'-P energy: -101.177
bonds (distance) P-C4' energy: -95.963
flat angles C4'-P-C4' energy: -111.631
flat angles P-C4'-P energy: -72.326
tors. eta vs tors. theta energy: -121.116
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: 7
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -1669.301920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.301920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.301920 (E_RNA)
where:
Base-Base interactions energy: -1200.037
where: short stacking energy: -465.170
Base-Backbone interact. energy: 0.067
local terms energy: -469.332173
where:
bonds (distance) C4'-P energy: -77.004
bonds (distance) P-C4' energy: -100.668
flat angles C4'-P-C4' energy: -97.215
flat angles P-C4'-P energy: -62.926
tors. eta vs tors. theta energy: -131.520
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: -1617.040241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.040241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.040241 (E_RNA)
where:
Base-Base interactions energy: -1152.765
where: short stacking energy: -462.437
Base-Backbone interact. energy: -0.469
local terms energy: -463.806472
where:
bonds (distance) C4'-P energy: -78.220
bonds (distance) P-C4' energy: -94.983
flat angles C4'-P-C4' energy: -102.637
flat angles P-C4'-P energy: -61.732
tors. eta vs tors. theta energy: -126.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -1452.468568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.468568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.468568 (E_RNA)
where:
Base-Base interactions energy: -1030.655
where: short stacking energy: -405.431
Base-Backbone interact. energy: -3.942
local terms energy: -417.871743
where:
bonds (distance) C4'-P energy: -73.500
bonds (distance) P-C4' energy: -66.371
flat angles C4'-P-C4' energy: -110.328
flat angles P-C4'-P energy: -64.710
tors. eta vs tors. theta energy: -102.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -1447.717305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.717305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.717305 (E_RNA)
where:
Base-Base interactions energy: -1004.320
where: short stacking energy: -402.265
Base-Backbone interact. energy: -2.232
local terms energy: -441.165540
where:
bonds (distance) C4'-P energy: -77.293
bonds (distance) P-C4' energy: -98.519
flat angles C4'-P-C4' energy: -107.227
flat angles P-C4'-P energy: -57.116
tors. eta vs tors. theta energy: -101.010
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: 7
Temperature: 1.300000
Total energy: -1307.921593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.921593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.921593 (E_RNA)
where:
Base-Base interactions energy: -909.619
where: short stacking energy: -362.033
Base-Backbone interact. energy: 0.364
local terms energy: -398.666147
where:
bonds (distance) C4'-P energy: -70.243
bonds (distance) P-C4' energy: -82.974
flat angles C4'-P-C4' energy: -98.958
flat angles P-C4'-P energy: -70.346
tors. eta vs tors. theta energy: -76.145
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: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -1270.900755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.900755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.900755 (E_RNA)
where:
Base-Base interactions energy: -903.454
where: short stacking energy: -358.605
Base-Backbone interact. energy: -4.231
local terms energy: -363.215461
where:
bonds (distance) C4'-P energy: -53.975
bonds (distance) P-C4' energy: -88.181
flat angles C4'-P-C4' energy: -85.895
flat angles P-C4'-P energy: -59.860
tors. eta vs tors. theta energy: -75.305
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: 1
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -1955.118679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.118679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.118679 (E_RNA)
where:
Base-Base interactions energy: -1411.583
where: short stacking energy: -561.654
Base-Backbone interact. energy: 5.494
local terms energy: -549.029100
where:
bonds (distance) C4'-P energy: -101.186
bonds (distance) P-C4' energy: -100.130
flat angles C4'-P-C4' energy: -116.996
flat angles P-C4'-P energy: -77.753
tors. eta vs tors. theta energy: -152.962
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: 8
Temperature: 0.950000
Total energy: -1893.454286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.454286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.454286 (E_RNA)
where:
Base-Base interactions energy: -1366.792
where: short stacking energy: -528.662
Base-Backbone interact. energy: 6.995
local terms energy: -533.658093
where:
bonds (distance) C4'-P energy: -93.552
bonds (distance) P-C4' energy: -102.369
flat angles C4'-P-C4' energy: -113.786
flat angles P-C4'-P energy: -80.984
tors. eta vs tors. theta energy: -142.967
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: 3, replica: 2
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -1839.184278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.184278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.184278 (E_RNA)
where:
Base-Base interactions energy: -1305.634
where: short stacking energy: -529.460
Base-Backbone interact. energy: -0.973
local terms energy: -532.577361
where:
bonds (distance) C4'-P energy: -87.128
bonds (distance) P-C4' energy: -96.085
flat angles C4'-P-C4' energy: -125.407
flat angles P-C4'-P energy: -82.405
tors. eta vs tors. theta energy: -141.553
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: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -1761.734976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.734976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.734976 (E_RNA)
where:
Base-Base interactions energy: -1246.882
where: short stacking energy: -467.410
Base-Backbone interact. energy: -1.167
local terms energy: -513.686514
where:
bonds (distance) C4'-P energy: -89.306
bonds (distance) P-C4' energy: -99.227
flat angles C4'-P-C4' energy: -106.537
flat angles P-C4'-P energy: -84.298
tors. eta vs tors. theta energy: -134.318
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: 7
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -1673.176878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.176878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.176878 (E_RNA)
where:
Base-Base interactions energy: -1221.862
where: short stacking energy: -464.053
Base-Backbone interact. energy: 9.192
local terms energy: -460.506540
where:
bonds (distance) C4'-P energy: -82.667
bonds (distance) P-C4' energy: -98.307
flat angles C4'-P-C4' energy: -113.744
flat angles P-C4'-P energy: -53.004
tors. eta vs tors. theta energy: -112.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -1591.539939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.539939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.539939 (E_RNA)
where:
Base-Base interactions energy: -1120.042
where: short stacking energy: -473.788
Base-Backbone interact. energy: -0.054
local terms energy: -471.444054
where:
bonds (distance) C4'-P energy: -78.879
bonds (distance) P-C4' energy: -98.860
flat angles C4'-P-C4' energy: -105.712
flat angles P-C4'-P energy: -66.167
tors. eta vs tors. theta energy: -121.826
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: 8
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -1530.700779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.700779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.700779 (E_RNA)
where:
Base-Base interactions energy: -1095.848
where: short stacking energy: -437.701
Base-Backbone interact. energy: -1.175
local terms energy: -433.677620
where:
bonds (distance) C4'-P energy: -72.041
bonds (distance) P-C4' energy: -87.381
flat angles C4'-P-C4' energy: -102.453
flat angles P-C4'-P energy: -62.432
tors. eta vs tors. theta energy: -109.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -1459.343028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.343028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.343028 (E_RNA)
where:
Base-Base interactions energy: -1021.356
where: short stacking energy: -392.598
Base-Backbone interact. energy: 5.260
local terms energy: -443.247494
where:
bonds (distance) C4'-P energy: -85.920
bonds (distance) P-C4' energy: -103.719
flat angles C4'-P-C4' energy: -100.410
flat angles P-C4'-P energy: -56.454
tors. eta vs tors. theta energy: -96.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -1347.247062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.247062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.247062 (E_RNA)
where:
Base-Base interactions energy: -932.101
where: short stacking energy: -380.278
Base-Backbone interact. energy: -0.874
local terms energy: -414.271971
where:
bonds (distance) C4'-P energy: -82.075
bonds (distance) P-C4' energy: -90.960
flat angles C4'-P-C4' energy: -92.590
flat angles P-C4'-P energy: -65.997
tors. eta vs tors. theta energy: -82.650
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: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -1162.884720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.884720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.884720 (E_RNA)
where:
Base-Base interactions energy: -812.439
where: short stacking energy: -330.753
Base-Backbone interact. energy: 2.322
local terms energy: -352.767811
where:
bonds (distance) C4'-P energy: -78.439
bonds (distance) P-C4' energy: -78.710
flat angles C4'-P-C4' energy: -83.560
flat angles P-C4'-P energy: -50.370
tors. eta vs tors. theta energy: -61.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -1972.802466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.802466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.802466 (E_RNA)
where:
Base-Base interactions energy: -1419.729
where: short stacking energy: -571.372
Base-Backbone interact. energy: -2.765
local terms energy: -550.308309
where:
bonds (distance) C4'-P energy: -99.160
bonds (distance) P-C4' energy: -101.614
flat angles C4'-P-C4' energy: -118.155
flat angles P-C4'-P energy: -80.685
tors. eta vs tors. theta energy: -150.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -1912.099766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.099766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.099766 (E_RNA)
where:
Base-Base interactions energy: -1366.555
where: short stacking energy: -543.778
Base-Backbone interact. energy: 2.884
local terms energy: -548.428400
where:
bonds (distance) C4'-P energy: -100.473
bonds (distance) P-C4' energy: -103.021
flat angles C4'-P-C4' energy: -108.738
flat angles P-C4'-P energy: -83.511
tors. eta vs tors. theta energy: -152.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -1821.860839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.860839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.860839 (E_RNA)
where:
Base-Base interactions energy: -1295.971
where: short stacking energy: -531.643
Base-Backbone interact. energy: -1.497
local terms energy: -524.392936
where:
bonds (distance) C4'-P energy: -90.244
bonds (distance) P-C4' energy: -97.949
flat angles C4'-P-C4' energy: -106.726
flat angles P-C4'-P energy: -78.729
tors. eta vs tors. theta energy: -150.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -1782.025485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.025485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.025485 (E_RNA)
where:
Base-Base interactions energy: -1277.590
where: short stacking energy: -497.863
Base-Backbone interact. energy: -2.069
local terms energy: -502.366933
where:
bonds (distance) C4'-P energy: -84.771
bonds (distance) P-C4' energy: -94.405
flat angles C4'-P-C4' energy: -114.786
flat angles P-C4'-P energy: -65.025
tors. eta vs tors. theta energy: -143.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -1693.221245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.221245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.221245 (E_RNA)
where:
Base-Base interactions energy: -1216.207
where: short stacking energy: -468.318
Base-Backbone interact. energy: 0.458
local terms energy: -477.472470
where:
bonds (distance) C4'-P energy: -94.392
bonds (distance) P-C4' energy: -93.751
flat angles C4'-P-C4' energy: -108.325
flat angles P-C4'-P energy: -72.792
tors. eta vs tors. theta energy: -108.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -1575.423016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1575.423016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1575.423016 (E_RNA)
where:
Base-Base interactions energy: -1114.069
where: short stacking energy: -470.100
Base-Backbone interact. energy: -1.979
local terms energy: -459.374633
where:
bonds (distance) C4'-P energy: -73.214
bonds (distance) P-C4' energy: -87.021
flat angles C4'-P-C4' energy: -108.539
flat angles P-C4'-P energy: -69.665
tors. eta vs tors. theta energy: -120.936
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: 8
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -1551.129718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.129718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.129718 (E_RNA)
where:
Base-Base interactions energy: -1083.098
where: short stacking energy: -416.385
Base-Backbone interact. energy: -3.167
local terms energy: -464.864778
where:
bonds (distance) C4'-P energy: -97.630
bonds (distance) P-C4' energy: -94.347
flat angles C4'-P-C4' energy: -100.419
flat angles P-C4'-P energy: -63.110
tors. eta vs tors. theta energy: -109.359
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: 5
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -1483.346017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.346017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.346017 (E_RNA)
where:
Base-Base interactions energy: -1045.977
where: short stacking energy: -443.836
Base-Backbone interact. energy: 2.759
local terms energy: -440.127485
where:
bonds (distance) C4'-P energy: -84.276
bonds (distance) P-C4' energy: -86.832
flat angles C4'-P-C4' energy: -114.608
flat angles P-C4'-P energy: -53.905
tors. eta vs tors. theta energy: -100.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -1346.181488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.181488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.181488 (E_RNA)
where:
Base-Base interactions energy: -893.697
where: short stacking energy: -375.473
Base-Backbone interact. energy: -0.022
local terms energy: -452.462568
where:
bonds (distance) C4'-P energy: -97.173
bonds (distance) P-C4' energy: -91.717
flat angles C4'-P-C4' energy: -100.695
flat angles P-C4'-P energy: -73.594
tors. eta vs tors. theta energy: -89.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -1195.836280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.836280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.836280 (E_RNA)
where:
Base-Base interactions energy: -805.100
where: short stacking energy: -341.324
Base-Backbone interact. energy: -2.419
local terms energy: -388.317410
where:
bonds (distance) C4'-P energy: -76.248
bonds (distance) P-C4' energy: -96.616
flat angles C4'-P-C4' energy: -82.483
flat angles P-C4'-P energy: -54.138
tors. eta vs tors. theta energy: -78.832
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: 1, replica: 1
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -1985.815173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.815173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.815173 (E_RNA)
where:
Base-Base interactions energy: -1415.229
where: short stacking energy: -555.232
Base-Backbone interact. energy: -2.702
local terms energy: -567.884450
where:
bonds (distance) C4'-P energy: -112.740
bonds (distance) P-C4' energy: -96.529
flat angles C4'-P-C4' energy: -128.790
flat angles P-C4'-P energy: -81.247
tors. eta vs tors. theta energy: -148.578
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: 10
Temperature: 0.950000
Total energy: -1882.727761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.727761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.727761 (E_RNA)
where:
Base-Base interactions energy: -1347.604
where: short stacking energy: -520.922
Base-Backbone interact. energy: -0.398
local terms energy: -534.725584
where:
bonds (distance) C4'-P energy: -106.149
bonds (distance) P-C4' energy: -101.393
flat angles C4'-P-C4' energy: -108.058
flat angles P-C4'-P energy: -77.331
tors. eta vs tors. theta energy: -141.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -1803.383003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.383003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.383003 (E_RNA)
where:
Base-Base interactions energy: -1275.835
where: short stacking energy: -497.884
Base-Backbone interact. energy: -4.498
local terms energy: -523.049921
where:
bonds (distance) C4'-P energy: -94.491
bonds (distance) P-C4' energy: -97.192
flat angles C4'-P-C4' energy: -116.963
flat angles P-C4'-P energy: -74.859
tors. eta vs tors. theta energy: -139.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -1809.740563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.740563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.740563 (E_RNA)
where:
Base-Base interactions energy: -1303.957
where: short stacking energy: -505.352
Base-Backbone interact. energy: -1.594
local terms energy: -504.189694
where:
bonds (distance) C4'-P energy: -89.712
bonds (distance) P-C4' energy: -97.972
flat angles C4'-P-C4' energy: -105.413
flat angles P-C4'-P energy: -75.196
tors. eta vs tors. theta energy: -135.897
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: 5, replica: 7
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -1708.000831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.000831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.000831 (E_RNA)
where:
Base-Base interactions energy: -1245.879
where: short stacking energy: -500.971
Base-Backbone interact. energy: 0.688
local terms energy: -462.809323
where:
bonds (distance) C4'-P energy: -72.994
bonds (distance) P-C4' energy: -81.618
flat angles C4'-P-C4' energy: -105.652
flat angles P-C4'-P energy: -63.633
tors. eta vs tors. theta energy: -138.913
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: 6
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -1551.158044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.158044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.158044 (E_RNA)
where:
Base-Base interactions energy: -1130.990
where: short stacking energy: -423.889
Base-Backbone interact. energy: -3.168
local terms energy: -416.999241
where:
bonds (distance) C4'-P energy: -65.532
bonds (distance) P-C4' energy: -94.864
flat angles C4'-P-C4' energy: -89.930
flat angles P-C4'-P energy: -60.157
tors. eta vs tors. theta energy: -106.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -1544.617200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.617200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.617200 (E_RNA)
where:
Base-Base interactions energy: -1099.652
where: short stacking energy: -448.725
Base-Backbone interact. energy: -2.533
local terms energy: -442.432364
where:
bonds (distance) C4'-P energy: -85.421
bonds (distance) P-C4' energy: -89.405
flat angles C4'-P-C4' energy: -94.370
flat angles P-C4'-P energy: -56.759
tors. eta vs tors. theta energy: -116.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -1501.887813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.887813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.887813 (E_RNA)
where:
Base-Base interactions energy: -1061.154
where: short stacking energy: -427.846
Base-Backbone interact. energy: 1.533
local terms energy: -442.267410
where:
bonds (distance) C4'-P energy: -74.006
bonds (distance) P-C4' energy: -94.852
flat angles C4'-P-C4' energy: -99.232
flat angles P-C4'-P energy: -66.245
tors. eta vs tors. theta energy: -107.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -1248.360530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.360530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.360530 (E_RNA)
where:
Base-Base interactions energy: -884.100
where: short stacking energy: -353.178
Base-Backbone interact. energy: 1.440
local terms energy: -365.700224
where:
bonds (distance) C4'-P energy: -72.103
bonds (distance) P-C4' energy: -85.212
flat angles C4'-P-C4' energy: -79.013
flat angles P-C4'-P energy: -71.079
tors. eta vs tors. theta energy: -58.293
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: 10
Temperature: 1.350000
Total energy: -1171.431158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.431158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.431158 (E_RNA)
where:
Base-Base interactions energy: -813.120
where: short stacking energy: -328.413
Base-Backbone interact. energy: 4.445
local terms energy: -362.756292
where:
bonds (distance) C4'-P energy: -82.150
bonds (distance) P-C4' energy: -84.503
flat angles C4'-P-C4' energy: -91.035
flat angles P-C4'-P energy: -49.793
tors. eta vs tors. theta energy: -55.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -1983.639550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.639550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.639550 (E_RNA)
where:
Base-Base interactions energy: -1419.073
where: short stacking energy: -541.553
Base-Backbone interact. energy: -2.976
local terms energy: -561.590202
where:
bonds (distance) C4'-P energy: -103.302
bonds (distance) P-C4' energy: -102.841
flat angles C4'-P-C4' energy: -118.570
flat angles P-C4'-P energy: -87.316
tors. eta vs tors. theta energy: -149.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -1907.765121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.765121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.765121 (E_RNA)
where:
Base-Base interactions energy: -1362.443
where: short stacking energy: -504.722
Base-Backbone interact. energy: -2.787
local terms energy: -542.535725
where:
bonds (distance) C4'-P energy: -96.285
bonds (distance) P-C4' energy: -108.012
flat angles C4'-P-C4' energy: -120.361
flat angles P-C4'-P energy: -83.425
tors. eta vs tors. theta energy: -134.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -1794.483150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.483150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.483150 (E_RNA)
where:
Base-Base interactions energy: -1263.245
where: short stacking energy: -484.064
Base-Backbone interact. energy: -0.096
local terms energy: -531.142041
where:
bonds (distance) C4'-P energy: -102.470
bonds (distance) P-C4' energy: -101.625
flat angles C4'-P-C4' energy: -118.072
flat angles P-C4'-P energy: -69.586
tors. eta vs tors. theta energy: -139.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -1749.508042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.508042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.508042 (E_RNA)
where:
Base-Base interactions energy: -1237.513
where: short stacking energy: -485.383
Base-Backbone interact. energy: -0.654
local terms energy: -511.341057
where:
bonds (distance) C4'-P energy: -107.589
bonds (distance) P-C4' energy: -97.551
flat angles C4'-P-C4' energy: -110.169
flat angles P-C4'-P energy: -68.343
tors. eta vs tors. theta energy: -127.690
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: 5, replica: 7
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -1718.394185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.394185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.394185 (E_RNA)
where:
Base-Base interactions energy: -1204.344
where: short stacking energy: -494.331
Base-Backbone interact. energy: -2.602
local terms energy: -511.448021
where:
bonds (distance) C4'-P energy: -93.401
bonds (distance) P-C4' energy: -94.075
flat angles C4'-P-C4' energy: -109.457
flat angles P-C4'-P energy: -76.796
tors. eta vs tors. theta energy: -137.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -1605.278988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.278988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.278988 (E_RNA)
where:
Base-Base interactions energy: -1149.560
where: short stacking energy: -472.439
Base-Backbone interact. energy: -4.772
local terms energy: -450.946575
where:
bonds (distance) C4'-P energy: -79.077
bonds (distance) P-C4' energy: -79.611
flat angles C4'-P-C4' energy: -105.890
flat angles P-C4'-P energy: -69.624
tors. eta vs tors. theta energy: -116.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -1552.878466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1552.878466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1552.878466 (E_RNA)
where:
Base-Base interactions energy: -1103.852
where: short stacking energy: -453.918
Base-Backbone interact. energy: 0.404
local terms energy: -449.430004
where:
bonds (distance) C4'-P energy: -76.401
bonds (distance) P-C4' energy: -94.272
flat angles C4'-P-C4' energy: -98.396
flat angles P-C4'-P energy: -63.521
tors. eta vs tors. theta energy: -116.839
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: 8, replica: 5
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -1472.583985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.583985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.583985 (E_RNA)
where:
Base-Base interactions energy: -1069.187
where: short stacking energy: -422.807
Base-Backbone interact. energy: -1.891
local terms energy: -401.506211
where:
bonds (distance) C4'-P energy: -73.959
bonds (distance) P-C4' energy: -82.233
flat angles C4'-P-C4' energy: -80.331
flat angles P-C4'-P energy: -63.254
tors. eta vs tors. theta energy: -101.729
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: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -1267.040460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.040460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.040460 (E_RNA)
where:
Base-Base interactions energy: -896.475
where: short stacking energy: -362.959
Base-Backbone interact. energy: 0.680
local terms energy: -371.245474
where:
bonds (distance) C4'-P energy: -76.977
bonds (distance) P-C4' energy: -90.475
flat angles C4'-P-C4' energy: -81.344
flat angles P-C4'-P energy: -59.607
tors. eta vs tors. theta energy: -62.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -1181.651800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.651800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.651800 (E_RNA)
where:
Base-Base interactions energy: -828.828
where: short stacking energy: -326.707
Base-Backbone interact. energy: -4.133
local terms energy: -348.690605
where:
bonds (distance) C4'-P energy: -66.990
bonds (distance) P-C4' energy: -86.868
flat angles C4'-P-C4' energy: -78.345
flat angles P-C4'-P energy: -58.422
tors. eta vs tors. theta energy: -58.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -1992.179650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.179650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.179650 (E_RNA)
where:
Base-Base interactions energy: -1424.730
where: short stacking energy: -571.022
Base-Backbone interact. energy: -4.599
local terms energy: -562.850680
where:
bonds (distance) C4'-P energy: -103.311
bonds (distance) P-C4' energy: -106.494
flat angles C4'-P-C4' energy: -122.753
flat angles P-C4'-P energy: -78.082
tors. eta vs tors. theta energy: -152.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -1894.843012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.843012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.843012 (E_RNA)
where:
Base-Base interactions energy: -1373.076
where: short stacking energy: -539.241
Base-Backbone interact. energy: -3.269
local terms energy: -518.498093
where:
bonds (distance) C4'-P energy: -99.885
bonds (distance) P-C4' energy: -81.279
flat angles C4'-P-C4' energy: -122.383
flat angles P-C4'-P energy: -68.961
tors. eta vs tors. theta energy: -145.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -1812.304061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.304061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.304061 (E_RNA)
where:
Base-Base interactions energy: -1273.197
where: short stacking energy: -512.935
Base-Backbone interact. energy: -3.461
local terms energy: -535.645889
where:
bonds (distance) C4'-P energy: -94.252
bonds (distance) P-C4' energy: -101.966
flat angles C4'-P-C4' energy: -119.068
flat angles P-C4'-P energy: -76.653
tors. eta vs tors. theta energy: -143.707
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: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -1788.750589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.750589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.750589 (E_RNA)
where:
Base-Base interactions energy: -1265.416
where: short stacking energy: -494.985
Base-Backbone interact. energy: -1.348
local terms energy: -521.987028
where:
bonds (distance) C4'-P energy: -93.765
bonds (distance) P-C4' energy: -105.290
flat angles C4'-P-C4' energy: -111.015
flat angles P-C4'-P energy: -70.380
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: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -1684.926905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.926905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.926905 (E_RNA)
where:
Base-Base interactions energy: -1208.804
where: short stacking energy: -470.274
Base-Backbone interact. energy: -1.751
local terms energy: -474.371946
where:
bonds (distance) C4'-P energy: -89.855
bonds (distance) P-C4' energy: -94.880
flat angles C4'-P-C4' energy: -109.269
flat angles P-C4'-P energy: -64.050
tors. eta vs tors. theta energy: -116.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -1610.605989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.605989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.605989 (E_RNA)
where:
Base-Base interactions energy: -1129.976
where: short stacking energy: -462.565
Base-Backbone interact. energy: -3.266
local terms energy: -477.364181
where:
bonds (distance) C4'-P energy: -86.883
bonds (distance) P-C4' energy: -94.395
flat angles C4'-P-C4' energy: -100.602
flat angles P-C4'-P energy: -76.191
tors. eta vs tors. theta energy: -119.293
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: 5
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -1518.434439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.434439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.434439 (E_RNA)
where:
Base-Base interactions energy: -1080.548
where: short stacking energy: -419.278
Base-Backbone interact. energy: 0.289
local terms energy: -438.175578
where:
bonds (distance) C4'-P energy: -84.325
bonds (distance) P-C4' energy: -85.430
flat angles C4'-P-C4' energy: -101.630
flat angles P-C4'-P energy: -58.057
tors. eta vs tors. theta energy: -108.734
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: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -1482.925883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.925883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.925883 (E_RNA)
where:
Base-Base interactions energy: -1070.809
where: short stacking energy: -401.789
Base-Backbone interact. energy: -0.715
local terms energy: -411.401911
where:
bonds (distance) C4'-P energy: -78.782
bonds (distance) P-C4' energy: -90.906
flat angles C4'-P-C4' energy: -80.665
flat angles P-C4'-P energy: -59.157
tors. eta vs tors. theta energy: -101.892
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: 9
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -1224.536186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.536186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.536186 (E_RNA)
where:
Base-Base interactions energy: -815.567
where: short stacking energy: -351.319
Base-Backbone interact. energy: -1.726
local terms energy: -407.243201
where:
bonds (distance) C4'-P energy: -85.120
bonds (distance) P-C4' energy: -102.459
flat angles C4'-P-C4' energy: -85.724
flat angles P-C4'-P energy: -59.111
tors. eta vs tors. theta energy: -74.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -1104.913364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.913364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.913364 (E_RNA)
where:
Base-Base interactions energy: -774.154
where: short stacking energy: -332.610
Base-Backbone interact. energy: -1.153
local terms energy: -329.606249
where:
bonds (distance) C4'-P energy: -70.553
bonds (distance) P-C4' energy: -76.725
flat angles C4'-P-C4' energy: -78.276
flat angles P-C4'-P energy: -42.436
tors. eta vs tors. theta energy: -61.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -1986.210819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.210819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.210819 (E_RNA)
where:
Base-Base interactions energy: -1427.321
where: short stacking energy: -555.520
Base-Backbone interact. energy: -2.847
local terms energy: -556.042664
where:
bonds (distance) C4'-P energy: -107.129
bonds (distance) P-C4' energy: -104.030
flat angles C4'-P-C4' energy: -118.571
flat angles P-C4'-P energy: -78.500
tors. eta vs tors. theta energy: -147.814
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: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -1884.506022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.506022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.506022 (E_RNA)
where:
Base-Base interactions energy: -1346.109
where: short stacking energy: -553.319
Base-Backbone interact. energy: -3.295
local terms energy: -535.102034
where:
bonds (distance) C4'-P energy: -89.172
bonds (distance) P-C4' energy: -104.992
flat angles C4'-P-C4' energy: -121.158
flat angles P-C4'-P energy: -73.815
tors. eta vs tors. theta energy: -145.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -1846.521523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.521523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.521523 (E_RNA)
where:
Base-Base interactions energy: -1345.801
where: short stacking energy: -524.025
Base-Backbone interact. energy: 1.675
local terms energy: -502.396461
where:
bonds (distance) C4'-P energy: -101.506
bonds (distance) P-C4' energy: -87.585
flat angles C4'-P-C4' energy: -113.673
flat angles P-C4'-P energy: -63.273
tors. eta vs tors. theta energy: -136.360
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: 4
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -1740.802492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.802492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.802492 (E_RNA)
where:
Base-Base interactions energy: -1270.520
where: short stacking energy: -497.456
Base-Backbone interact. energy: -0.385
local terms energy: -469.897618
where:
bonds (distance) C4'-P energy: -75.751
bonds (distance) P-C4' energy: -90.800
flat angles C4'-P-C4' energy: -97.424
flat angles P-C4'-P energy: -72.813
tors. eta vs tors. theta energy: -133.110
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: 5, replica: 7
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -1686.023840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.023840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.023840 (E_RNA)
where:
Base-Base interactions energy: -1226.230
where: short stacking energy: -480.777
Base-Backbone interact. energy: 0.623
local terms energy: -460.417399
where:
bonds (distance) C4'-P energy: -77.141
bonds (distance) P-C4' energy: -85.614
flat angles C4'-P-C4' energy: -95.116
flat angles P-C4'-P energy: -69.975
tors. eta vs tors. theta energy: -132.571
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: 5
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -1589.413105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.413105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.413105 (E_RNA)
where:
Base-Base interactions energy: -1100.026
where: short stacking energy: -436.033
Base-Backbone interact. energy: -2.339
local terms energy: -487.048448
where:
bonds (distance) C4'-P energy: -95.514
bonds (distance) P-C4' energy: -104.955
flat angles C4'-P-C4' energy: -94.248
flat angles P-C4'-P energy: -76.492
tors. eta vs tors. theta energy: -115.840
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: 8
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -1527.414371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.414371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.414371 (E_RNA)
where:
Base-Base interactions energy: -1077.443
where: short stacking energy: -429.555
Base-Backbone interact. energy: -0.359
local terms energy: -449.612786
where:
bonds (distance) C4'-P energy: -85.126
bonds (distance) P-C4' energy: -92.503
flat angles C4'-P-C4' energy: -103.420
flat angles P-C4'-P energy: -65.073
tors. eta vs tors. theta energy: -103.491
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: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -1425.653403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.653403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.653403 (E_RNA)
where:
Base-Base interactions energy: -1016.517
where: short stacking energy: -402.715
Base-Backbone interact. energy: -3.352
local terms energy: -405.784817
where:
bonds (distance) C4'-P energy: -79.650
bonds (distance) P-C4' energy: -80.781
flat angles C4'-P-C4' energy: -90.378
flat angles P-C4'-P energy: -52.684
tors. eta vs tors. theta energy: -102.292
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: 9
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -1158.608786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.608786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.608786 (E_RNA)
where:
Base-Base interactions energy: -785.664
where: short stacking energy: -327.687
Base-Backbone interact. energy: -0.828
local terms energy: -372.116877
where:
bonds (distance) C4'-P energy: -87.885
bonds (distance) P-C4' energy: -90.378
flat angles C4'-P-C4' energy: -81.984
flat angles P-C4'-P energy: -55.298
tors. eta vs tors. theta energy: -56.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -1015.372409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.372409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.372409 (E_RNA)
where:
Base-Base interactions energy: -682.663
where: short stacking energy: -298.179
Base-Backbone interact. energy: 0.066
local terms energy: -332.775357
where:
bonds (distance) C4'-P energy: -77.207
bonds (distance) P-C4' energy: -82.301
flat angles C4'-P-C4' energy: -79.351
flat angles P-C4'-P energy: -38.020
tors. eta vs tors. theta energy: -55.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -1972.859507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.859507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.859507 (E_RNA)
where:
Base-Base interactions energy: -1434.003
where: short stacking energy: -563.785
Base-Backbone interact. energy: -1.063
local terms energy: -537.793697
where:
bonds (distance) C4'-P energy: -90.376
bonds (distance) P-C4' energy: -110.939
flat angles C4'-P-C4' energy: -115.185
flat angles P-C4'-P energy: -76.901
tors. eta vs tors. theta energy: -144.393
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: 14
Temperature: 0.950000
Total energy: -1852.734330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.734330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.734330 (E_RNA)
where:
Base-Base interactions energy: -1299.809
where: short stacking energy: -523.858
Base-Backbone interact. energy: -2.782
local terms energy: -550.143627
where:
bonds (distance) C4'-P energy: -103.638
bonds (distance) P-C4' energy: -110.016
flat angles C4'-P-C4' energy: -118.570
flat angles P-C4'-P energy: -74.826
tors. eta vs tors. theta energy: -143.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -1824.483533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.483533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.483533 (E_RNA)
where:
Base-Base interactions energy: -1303.353
where: short stacking energy: -537.326
Base-Backbone interact. energy: -0.832
local terms energy: -520.298151
where:
bonds (distance) C4'-P energy: -101.497
bonds (distance) P-C4' energy: -90.992
flat angles C4'-P-C4' energy: -111.867
flat angles P-C4'-P energy: -70.393
tors. eta vs tors. theta energy: -145.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -1784.101629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.101629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.101629 (E_RNA)
where:
Base-Base interactions energy: -1285.245
where: short stacking energy: -507.317
Base-Backbone interact. energy: -1.649
local terms energy: -497.207325
where:
bonds (distance) C4'-P energy: -89.317
bonds (distance) P-C4' energy: -96.029
flat angles C4'-P-C4' energy: -111.409
flat angles P-C4'-P energy: -69.462
tors. eta vs tors. theta energy: -130.990
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: 7
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -1693.020032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.020032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.020032 (E_RNA)
where:
Base-Base interactions energy: -1198.425
where: short stacking energy: -478.796
Base-Backbone interact. energy: -3.221
local terms energy: -491.374548
where:
bonds (distance) C4'-P energy: -104.347
bonds (distance) P-C4' energy: -100.070
flat angles C4'-P-C4' energy: -102.849
flat angles P-C4'-P energy: -58.716
tors. eta vs tors. theta energy: -125.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -1585.251393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.251393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.251393 (E_RNA)
where:
Base-Base interactions energy: -1106.172
where: short stacking energy: -448.979
Base-Backbone interact. energy: 5.379
local terms energy: -484.458417
where:
bonds (distance) C4'-P energy: -89.410
bonds (distance) P-C4' energy: -91.801
flat angles C4'-P-C4' energy: -113.779
flat angles P-C4'-P energy: -71.709
tors. eta vs tors. theta energy: -117.760
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: 14
Temperature: 1.200000
Total energy: -1519.726610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.726610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.726610 (E_RNA)
where:
Base-Base interactions energy: -1087.243
where: short stacking energy: -457.276
Base-Backbone interact. energy: -3.152
local terms energy: -429.331576
where:
bonds (distance) C4'-P energy: -65.915
bonds (distance) P-C4' energy: -94.115
flat angles C4'-P-C4' energy: -104.007
flat angles P-C4'-P energy: -63.616
tors. eta vs tors. theta energy: -101.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -1396.604880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.604880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.604880 (E_RNA)
where:
Base-Base interactions energy: -1003.172
where: short stacking energy: -401.243
Base-Backbone interact. energy: 3.557
local terms energy: -396.989621
where:
bonds (distance) C4'-P energy: -82.552
bonds (distance) P-C4' energy: -81.780
flat angles C4'-P-C4' energy: -95.946
flat angles P-C4'-P energy: -50.677
tors. eta vs tors. theta energy: -86.034
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: 14
Temperature: 1.300000
Total energy: -1177.114835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.114835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.114835 (E_RNA)
where:
Base-Base interactions energy: -788.138
where: short stacking energy: -330.819
Base-Backbone interact. energy: -0.939
local terms energy: -388.038273
where:
bonds (distance) C4'-P energy: -78.680
bonds (distance) P-C4' energy: -89.423
flat angles C4'-P-C4' energy: -95.730
flat angles P-C4'-P energy: -53.879
tors. eta vs tors. theta energy: -70.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -1158.548336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.548336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.548336 (E_RNA)
where:
Base-Base interactions energy: -802.401
where: short stacking energy: -314.683
Base-Backbone interact. energy: 0.169
local terms energy: -356.316173
where:
bonds (distance) C4'-P energy: -72.613
bonds (distance) P-C4' energy: -81.554
flat angles C4'-P-C4' energy: -83.004
flat angles P-C4'-P energy: -57.150
tors. eta vs tors. theta energy: -61.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -1961.521488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.521488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.521488 (E_RNA)
where:
Base-Base interactions energy: -1399.352
where: short stacking energy: -561.783
Base-Backbone interact. energy: -0.268
local terms energy: -561.900986
where:
bonds (distance) C4'-P energy: -94.205
bonds (distance) P-C4' energy: -104.521
flat angles C4'-P-C4' energy: -121.453
flat angles P-C4'-P energy: -87.282
tors. eta vs tors. theta energy: -154.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -1883.896846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.896846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.896846 (E_RNA)
where:
Base-Base interactions energy: -1327.625
where: short stacking energy: -523.949
Base-Backbone interact. energy: -3.124
local terms energy: -553.147876
where:
bonds (distance) C4'-P energy: -109.078
bonds (distance) P-C4' energy: -105.588
flat angles C4'-P-C4' energy: -117.355
flat angles P-C4'-P energy: -73.882
tors. eta vs tors. theta energy: -147.246
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: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -1829.799470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.799470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.799470 (E_RNA)
where:
Base-Base interactions energy: -1307.615
where: short stacking energy: -527.901
Base-Backbone interact. energy: -2.517
local terms energy: -519.667561
where:
bonds (distance) C4'-P energy: -95.687
bonds (distance) P-C4' energy: -90.576
flat angles C4'-P-C4' energy: -119.268
flat angles P-C4'-P energy: -81.379
tors. eta vs tors. theta energy: -132.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -1762.768935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.768935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.768935 (E_RNA)
where:
Base-Base interactions energy: -1261.308
where: short stacking energy: -482.406
Base-Backbone interact. energy: -2.276
local terms energy: -499.184192
where:
bonds (distance) C4'-P energy: -94.787
bonds (distance) P-C4' energy: -99.454
flat angles C4'-P-C4' energy: -105.371
flat angles P-C4'-P energy: -73.821
tors. eta vs tors. theta energy: -125.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -1679.229493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.229493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.229493 (E_RNA)
where:
Base-Base interactions energy: -1205.292
where: short stacking energy: -494.246
Base-Backbone interact. energy: 0.740
local terms energy: -474.677883
where:
bonds (distance) C4'-P energy: -82.452
bonds (distance) P-C4' energy: -97.868
flat angles C4'-P-C4' energy: -107.315
flat angles P-C4'-P energy: -58.241
tors. eta vs tors. theta energy: -128.803
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: 5
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -1612.629247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.629247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.629247 (E_RNA)
where:
Base-Base interactions energy: -1172.496
where: short stacking energy: -471.985
Base-Backbone interact. energy: 0.053
local terms energy: -440.186453
where:
bonds (distance) C4'-P energy: -75.295
bonds (distance) P-C4' energy: -95.486
flat angles C4'-P-C4' energy: -92.764
flat angles P-C4'-P energy: -60.837
tors. eta vs tors. theta energy: -115.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -1529.319663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.319663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.319663 (E_RNA)
where:
Base-Base interactions energy: -1094.287
where: short stacking energy: -433.044
Base-Backbone interact. energy: -1.551
local terms energy: -433.482123
where:
bonds (distance) C4'-P energy: -88.905
bonds (distance) P-C4' energy: -62.357
flat angles C4'-P-C4' energy: -98.383
flat angles P-C4'-P energy: -69.861
tors. eta vs tors. theta energy: -113.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -1400.679269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.679269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.679269 (E_RNA)
where:
Base-Base interactions energy: -1001.436
where: short stacking energy: -386.996
Base-Backbone interact. energy: 4.386
local terms energy: -403.630037
where:
bonds (distance) C4'-P energy: -75.038
bonds (distance) P-C4' energy: -86.789
flat angles C4'-P-C4' energy: -96.182
flat angles P-C4'-P energy: -60.283
tors. eta vs tors. theta energy: -85.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -1193.374141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.374141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.374141 (E_RNA)
where:
Base-Base interactions energy: -818.257
where: short stacking energy: -324.372
Base-Backbone interact. energy: -1.078
local terms energy: -374.040027
where:
bonds (distance) C4'-P energy: -55.313
bonds (distance) P-C4' energy: -87.205
flat angles C4'-P-C4' energy: -89.967
flat angles P-C4'-P energy: -63.148
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: 10, replica: 9
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -1168.627390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.627390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.627390 (E_RNA)
where:
Base-Base interactions energy: -830.676
where: short stacking energy: -334.394
Base-Backbone interact. energy: -1.069
local terms energy: -336.881810
where:
bonds (distance) C4'-P energy: -73.360
bonds (distance) P-C4' energy: -71.014
flat angles C4'-P-C4' energy: -89.038
flat angles P-C4'-P energy: -37.801
tors. eta vs tors. theta energy: -65.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -1975.996294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.996294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.996294 (E_RNA)
where:
Base-Base interactions energy: -1417.848
where: short stacking energy: -574.433
Base-Backbone interact. energy: -3.206
local terms energy: -554.942630
where:
bonds (distance) C4'-P energy: -100.267
bonds (distance) P-C4' energy: -108.172
flat angles C4'-P-C4' energy: -107.307
flat angles P-C4'-P energy: -81.416
tors. eta vs tors. theta energy: -157.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -1893.623882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.623882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.623882 (E_RNA)
where:
Base-Base interactions energy: -1371.514
where: short stacking energy: -556.077
Base-Backbone interact. energy: -1.701
local terms energy: -520.409128
where:
bonds (distance) C4'-P energy: -105.622
bonds (distance) P-C4' energy: -94.494
flat angles C4'-P-C4' energy: -103.450
flat angles P-C4'-P energy: -70.567
tors. eta vs tors. theta energy: -146.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -1830.911834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.911834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.911834 (E_RNA)
where:
Base-Base interactions energy: -1294.200
where: short stacking energy: -524.538
Base-Backbone interact. energy: 2.505
local terms energy: -539.216632
where:
bonds (distance) C4'-P energy: -100.214
bonds (distance) P-C4' energy: -101.107
flat angles C4'-P-C4' energy: -106.814
flat angles P-C4'-P energy: -84.684
tors. eta vs tors. theta energy: -146.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -1724.964153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.964153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.964153 (E_RNA)
where:
Base-Base interactions energy: -1237.041
where: short stacking energy: -497.473
Base-Backbone interact. energy: -2.870
local terms energy: -485.053318
where:
bonds (distance) C4'-P energy: -89.918
bonds (distance) P-C4' energy: -93.677
flat angles C4'-P-C4' energy: -103.639
flat angles P-C4'-P energy: -68.199
tors. eta vs tors. theta energy: -129.620
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: 5, replica: 5
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -1650.541401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.541401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.541401 (E_RNA)
where:
Base-Base interactions energy: -1165.810
where: short stacking energy: -491.600
Base-Backbone interact. energy: -0.927
local terms energy: -483.804441
where:
bonds (distance) C4'-P energy: -100.273
bonds (distance) P-C4' energy: -99.586
flat angles C4'-P-C4' energy: -101.777
flat angles P-C4'-P energy: -60.136
tors. eta vs tors. theta energy: -122.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -1595.900594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.900594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.900594 (E_RNA)
where:
Base-Base interactions energy: -1132.113
where: short stacking energy: -486.066
Base-Backbone interact. energy: 2.347
local terms energy: -466.134630
where:
bonds (distance) C4'-P energy: -86.267
bonds (distance) P-C4' energy: -98.194
flat angles C4'-P-C4' energy: -112.182
flat angles P-C4'-P energy: -50.487
tors. eta vs tors. theta energy: -119.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -1521.543676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.543676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.543676 (E_RNA)
where:
Base-Base interactions energy: -1095.333
where: short stacking energy: -446.603
Base-Backbone interact. energy: 3.375
local terms energy: -429.585418
where:
bonds (distance) C4'-P energy: -69.250
bonds (distance) P-C4' energy: -88.982
flat angles C4'-P-C4' energy: -95.424
flat angles P-C4'-P energy: -63.897
tors. eta vs tors. theta energy: -112.032
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: 16
Temperature: 1.250000
Total energy: -1343.061144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.061144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.061144 (E_RNA)
where:
Base-Base interactions energy: -950.110
where: short stacking energy: -389.109
Base-Backbone interact. energy: 2.762
local terms energy: -395.712789
where:
bonds (distance) C4'-P energy: -78.213
bonds (distance) P-C4' energy: -79.167
flat angles C4'-P-C4' energy: -101.060
flat angles P-C4'-P energy: -59.710
tors. eta vs tors. theta energy: -77.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -1177.210537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.210537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.210537 (E_RNA)
where:
Base-Base interactions energy: -817.341
where: short stacking energy: -350.958
Base-Backbone interact. energy: 0.343
local terms energy: -360.212785
where:
bonds (distance) C4'-P energy: -67.718
bonds (distance) P-C4' energy: -68.500
flat angles C4'-P-C4' energy: -88.757
flat angles P-C4'-P energy: -58.805
tors. eta vs tors. theta energy: -76.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -1121.667240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.667240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.667240 (E_RNA)
where:
Base-Base interactions energy: -789.917
where: short stacking energy: -340.478
Base-Backbone interact. energy: 15.184
local terms energy: -346.934467
where:
bonds (distance) C4'-P energy: -84.876
bonds (distance) P-C4' energy: -74.022
flat angles C4'-P-C4' energy: -76.695
flat angles P-C4'-P energy: -36.889
tors. eta vs tors. theta energy: -74.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -1987.942670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.942670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.942670 (E_RNA)
where:
Base-Base interactions energy: -1432.564
where: short stacking energy: -571.940
Base-Backbone interact. energy: -3.964
local terms energy: -551.415208
where:
bonds (distance) C4'-P energy: -90.026
bonds (distance) P-C4' energy: -105.825
flat angles C4'-P-C4' energy: -116.377
flat angles P-C4'-P energy: -84.791
tors. eta vs tors. theta energy: -154.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -1867.381909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.381909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.381909 (E_RNA)
where:
Base-Base interactions energy: -1332.972
where: short stacking energy: -552.369
Base-Backbone interact. energy: -0.662
local terms energy: -533.748212
where:
bonds (distance) C4'-P energy: -106.668
bonds (distance) P-C4' energy: -95.003
flat angles C4'-P-C4' energy: -118.937
flat angles P-C4'-P energy: -70.662
tors. eta vs tors. theta energy: -142.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -1845.632960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.632960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.632960 (E_RNA)
where:
Base-Base interactions energy: -1293.544
where: short stacking energy: -505.915
Base-Backbone interact. energy: -0.352
local terms energy: -551.736706
where:
bonds (distance) C4'-P energy: -98.072
bonds (distance) P-C4' energy: -103.543
flat angles C4'-P-C4' energy: -116.512
flat angles P-C4'-P energy: -85.669
tors. eta vs tors. theta energy: -147.940
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: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -1746.125032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.125032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.125032 (E_RNA)
where:
Base-Base interactions energy: -1268.546
where: short stacking energy: -508.881
Base-Backbone interact. energy: -2.495
local terms energy: -475.083266
where:
bonds (distance) C4'-P energy: -103.290
bonds (distance) P-C4' energy: -85.201
flat angles C4'-P-C4' energy: -93.881
flat angles P-C4'-P energy: -64.495
tors. eta vs tors. theta energy: -128.216
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: 5
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -1662.379222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.379222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.379222 (E_RNA)
where:
Base-Base interactions energy: -1174.699
where: short stacking energy: -486.766
Base-Backbone interact. energy: -4.359
local terms energy: -483.321300
where:
bonds (distance) C4'-P energy: -88.216
bonds (distance) P-C4' energy: -85.922
flat angles C4'-P-C4' energy: -112.898
flat angles P-C4'-P energy: -73.654
tors. eta vs tors. theta energy: -122.630
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: 8
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -1594.424485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.424485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.424485 (E_RNA)
where:
Base-Base interactions energy: -1127.194
where: short stacking energy: -454.286
Base-Backbone interact. energy: 3.150
local terms energy: -470.381047
where:
bonds (distance) C4'-P energy: -77.268
bonds (distance) P-C4' energy: -96.068
flat angles C4'-P-C4' energy: -99.572
flat angles P-C4'-P energy: -77.265
tors. eta vs tors. theta energy: -120.208
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: 7
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -1546.797641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.797641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.797641 (E_RNA)
where:
Base-Base interactions energy: -1120.282
where: short stacking energy: -420.161
Base-Backbone interact. energy: 4.867
local terms energy: -431.381945
where:
bonds (distance) C4'-P energy: -92.135
bonds (distance) P-C4' energy: -84.967
flat angles C4'-P-C4' energy: -99.234
flat angles P-C4'-P energy: -49.336
tors. eta vs tors. theta energy: -105.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -1315.163167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.163167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.163167 (E_RNA)
where:
Base-Base interactions energy: -925.882
where: short stacking energy: -388.906
Base-Backbone interact. energy: 3.290
local terms energy: -392.570717
where:
bonds (distance) C4'-P energy: -67.207
bonds (distance) P-C4' energy: -96.144
flat angles C4'-P-C4' energy: -92.658
flat angles P-C4'-P energy: -54.786
tors. eta vs tors. theta energy: -81.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -1249.389579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.389579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.389579 (E_RNA)
where:
Base-Base interactions energy: -847.652
where: short stacking energy: -362.423
Base-Backbone interact. energy: 0.920
local terms energy: -402.657333
where:
bonds (distance) C4'-P energy: -84.251
bonds (distance) P-C4' energy: -84.988
flat angles C4'-P-C4' energy: -87.722
flat angles P-C4'-P energy: -63.518
tors. eta vs tors. theta energy: -82.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -1051.770885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.770885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.770885 (E_RNA)
where:
Base-Base interactions energy: -699.613
where: short stacking energy: -285.064
Base-Backbone interact. energy: -1.201
local terms energy: -350.957601
where:
bonds (distance) C4'-P energy: -76.210
bonds (distance) P-C4' energy: -73.394
flat angles C4'-P-C4' energy: -90.072
flat angles P-C4'-P energy: -55.338
tors. eta vs tors. theta energy: -55.943
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: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -1990.979896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.979896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.979896 (E_RNA)
where:
Base-Base interactions energy: -1430.062
where: short stacking energy: -556.843
Base-Backbone interact. energy: 1.705
local terms energy: -562.623154
where:
bonds (distance) C4'-P energy: -106.074
bonds (distance) P-C4' energy: -105.986
flat angles C4'-P-C4' energy: -118.411
flat angles P-C4'-P energy: -79.299
tors. eta vs tors. theta energy: -152.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -1873.798975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.798975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.798975 (E_RNA)
where:
Base-Base interactions energy: -1344.156
where: short stacking energy: -526.624
Base-Backbone interact. energy: 0.434
local terms energy: -530.076818
where:
bonds (distance) C4'-P energy: -99.649
bonds (distance) P-C4' energy: -113.203
flat angles C4'-P-C4' energy: -112.138
flat angles P-C4'-P energy: -68.132
tors. eta vs tors. theta energy: -136.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -1860.753197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.753197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.753197 (E_RNA)
where:
Base-Base interactions energy: -1331.285
where: short stacking energy: -525.854
Base-Backbone interact. energy: -2.336
local terms energy: -527.132655
where:
bonds (distance) C4'-P energy: -85.961
bonds (distance) P-C4' energy: -104.550
flat angles C4'-P-C4' energy: -110.824
flat angles P-C4'-P energy: -83.673
tors. eta vs tors. theta energy: -142.125
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: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -1806.147683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.147683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.147683 (E_RNA)
where:
Base-Base interactions energy: -1289.464
where: short stacking energy: -513.802
Base-Backbone interact. energy: -2.933
local terms energy: -513.750807
where:
bonds (distance) C4'-P energy: -103.244
bonds (distance) P-C4' energy: -86.306
flat angles C4'-P-C4' energy: -110.752
flat angles P-C4'-P energy: -79.599
tors. eta vs tors. theta energy: -133.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -1648.948335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.948335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.948335 (E_RNA)
where:
Base-Base interactions energy: -1167.550
where: short stacking energy: -463.189
Base-Backbone interact. energy: -3.063
local terms energy: -478.336045
where:
bonds (distance) C4'-P energy: -101.131
bonds (distance) P-C4' energy: -96.717
flat angles C4'-P-C4' energy: -99.748
flat angles P-C4'-P energy: -61.206
tors. eta vs tors. theta energy: -119.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -1611.113293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.113293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.113293 (E_RNA)
where:
Base-Base interactions energy: -1108.779
where: short stacking energy: -448.119
Base-Backbone interact. energy: -0.240
local terms energy: -502.094099
where:
bonds (distance) C4'-P energy: -87.010
bonds (distance) P-C4' energy: -108.318
flat angles C4'-P-C4' energy: -118.112
flat angles P-C4'-P energy: -70.901
tors. eta vs tors. theta energy: -117.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -1568.979380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.979380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.979380 (E_RNA)
where:
Base-Base interactions energy: -1117.182
where: short stacking energy: -473.254
Base-Backbone interact. energy: -1.092
local terms energy: -450.704823
where:
bonds (distance) C4'-P energy: -70.910
bonds (distance) P-C4' energy: -78.627
flat angles C4'-P-C4' energy: -97.375
flat angles P-C4'-P energy: -66.800
tors. eta vs tors. theta energy: -136.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -1297.205336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.205336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.205336 (E_RNA)
where:
Base-Base interactions energy: -878.440
where: short stacking energy: -367.630
Base-Backbone interact. energy: -2.990
local terms energy: -415.775753
where:
bonds (distance) C4'-P energy: -89.892
bonds (distance) P-C4' energy: -76.070
flat angles C4'-P-C4' energy: -92.211
flat angles P-C4'-P energy: -70.101
tors. eta vs tors. theta energy: -87.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -1231.567736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1231.567736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1231.567736 (E_RNA)
where:
Base-Base interactions energy: -848.587
where: short stacking energy: -352.188
Base-Backbone interact. energy: -1.997
local terms energy: -380.983927
where:
bonds (distance) C4'-P energy: -77.297
bonds (distance) P-C4' energy: -88.251
flat angles C4'-P-C4' energy: -97.494
flat angles P-C4'-P energy: -43.760
tors. eta vs tors. theta energy: -74.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -1005.868549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.868549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.868549 (E_RNA)
where:
Base-Base interactions energy: -665.549
where: short stacking energy: -282.162
Base-Backbone interact. energy: -0.008
local terms energy: -340.311479
where:
bonds (distance) C4'-P energy: -86.200
bonds (distance) P-C4' energy: -84.327
flat angles C4'-P-C4' energy: -79.663
flat angles P-C4'-P energy: -47.053
tors. eta vs tors. theta energy: -43.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -2005.130744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2005.130744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2005.130744 (E_RNA)
where:
Base-Base interactions energy: -1437.103
where: short stacking energy: -563.427
Base-Backbone interact. energy: -2.966
local terms energy: -565.062327
where:
bonds (distance) C4'-P energy: -97.112
bonds (distance) P-C4' energy: -111.801
flat angles C4'-P-C4' energy: -120.909
flat angles P-C4'-P energy: -77.057
tors. eta vs tors. theta energy: -158.182
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: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -1864.840719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.840719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.840719 (E_RNA)
where:
Base-Base interactions energy: -1348.218
where: short stacking energy: -554.248
Base-Backbone interact. energy: -0.863
local terms energy: -515.758876
where:
bonds (distance) C4'-P energy: -87.842
bonds (distance) P-C4' energy: -97.970
flat angles C4'-P-C4' energy: -106.793
flat angles P-C4'-P energy: -71.204
tors. eta vs tors. theta energy: -151.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -1842.503099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.503099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.503099 (E_RNA)
where:
Base-Base interactions energy: -1306.169
where: short stacking energy: -522.251
Base-Backbone interact. energy: 2.518
local terms energy: -538.852738
where:
bonds (distance) C4'-P energy: -97.473
bonds (distance) P-C4' energy: -95.991
flat angles C4'-P-C4' energy: -117.426
flat angles P-C4'-P energy: -79.189
tors. eta vs tors. theta energy: -148.774
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: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -1818.172472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.172472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.172472 (E_RNA)
where:
Base-Base interactions energy: -1295.079
where: short stacking energy: -509.386
Base-Backbone interact. energy: 4.148
local terms energy: -527.241086
where:
bonds (distance) C4'-P energy: -92.124
bonds (distance) P-C4' energy: -107.760
flat angles C4'-P-C4' energy: -117.234
flat angles P-C4'-P energy: -73.156
tors. eta vs tors. theta energy: -136.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -1644.311358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.311358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.311358 (E_RNA)
where:
Base-Base interactions energy: -1154.964
where: short stacking energy: -466.644
Base-Backbone interact. energy: -1.900
local terms energy: -487.447378
where:
bonds (distance) C4'-P energy: -85.377
bonds (distance) P-C4' energy: -90.422
flat angles C4'-P-C4' energy: -113.846
flat angles P-C4'-P energy: -77.954
tors. eta vs tors. theta energy: -119.848
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: 8
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -1612.507641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.507641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.507641 (E_RNA)
where:
Base-Base interactions energy: -1146.100
where: short stacking energy: -442.959
Base-Backbone interact. energy: -1.934
local terms energy: -464.474139
where:
bonds (distance) C4'-P energy: -82.477
bonds (distance) P-C4' energy: -95.944
flat angles C4'-P-C4' energy: -99.147
flat angles P-C4'-P energy: -71.935
tors. eta vs tors. theta energy: -114.970
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: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -1536.329493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.329493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.329493 (E_RNA)
where:
Base-Base interactions energy: -1110.180
where: short stacking energy: -459.447
Base-Backbone interact. energy: -2.945
local terms energy: -423.204180
where:
bonds (distance) C4'-P energy: -64.773
bonds (distance) P-C4' energy: -77.272
flat angles C4'-P-C4' energy: -100.504
flat angles P-C4'-P energy: -72.187
tors. eta vs tors. theta energy: -108.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -1350.689926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.689926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.689926 (E_RNA)
where:
Base-Base interactions energy: -952.630
where: short stacking energy: -377.946
Base-Backbone interact. energy: 6.068
local terms energy: -404.127174
where:
bonds (distance) C4'-P energy: -76.628
bonds (distance) P-C4' energy: -83.521
flat angles C4'-P-C4' energy: -98.684
flat angles P-C4'-P energy: -59.227
tors. eta vs tors. theta energy: -86.067
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: 9
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -1272.243854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.243854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.243854 (E_RNA)
where:
Base-Base interactions energy: -879.145
where: short stacking energy: -359.891
Base-Backbone interact. energy: 1.886
local terms energy: -394.985122
where:
bonds (distance) C4'-P energy: -80.000
bonds (distance) P-C4' energy: -76.575
flat angles C4'-P-C4' energy: -88.452
flat angles P-C4'-P energy: -61.692
tors. eta vs tors. theta energy: -88.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -1026.486980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1026.486980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1026.486980 (E_RNA)
where:
Base-Base interactions energy: -664.511
where: short stacking energy: -293.680
Base-Backbone interact. energy: -0.407
local terms energy: -361.568856
where:
bonds (distance) C4'-P energy: -87.869
bonds (distance) P-C4' energy: -76.470
flat angles C4'-P-C4' energy: -87.722
flat angles P-C4'-P energy: -63.302
tors. eta vs tors. theta energy: -46.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -1980.384216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.384216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.384216 (E_RNA)
where:
Base-Base interactions energy: -1428.731
where: short stacking energy: -547.638
Base-Backbone interact. energy: -1.830
local terms energy: -549.823413
where:
bonds (distance) C4'-P energy: -103.955
bonds (distance) P-C4' energy: -113.626
flat angles C4'-P-C4' energy: -112.188
flat angles P-C4'-P energy: -75.763
tors. eta vs tors. theta energy: -144.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -1844.143130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.143130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.143130 (E_RNA)
where:
Base-Base interactions energy: -1313.232
where: short stacking energy: -542.333
Base-Backbone interact. energy: 0.431
local terms energy: -531.342109
where:
bonds (distance) C4'-P energy: -98.932
bonds (distance) P-C4' energy: -99.022
flat angles C4'-P-C4' energy: -103.803
flat angles P-C4'-P energy: -80.333
tors. eta vs tors. theta energy: -149.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -1881.353095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.353095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.353095 (E_RNA)
where:
Base-Base interactions energy: -1349.517
where: short stacking energy: -546.222
Base-Backbone interact. energy: -0.791
local terms energy: -531.045500
where:
bonds (distance) C4'-P energy: -88.904
bonds (distance) P-C4' energy: -102.187
flat angles C4'-P-C4' energy: -115.523
flat angles P-C4'-P energy: -76.076
tors. eta vs tors. theta energy: -148.355
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: 4, replica: 4
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -1796.890887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.890887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.890887 (E_RNA)
where:
Base-Base interactions energy: -1296.123
where: short stacking energy: -488.621
Base-Backbone interact. energy: 2.176
local terms energy: -502.943607
where:
bonds (distance) C4'-P energy: -89.676
bonds (distance) P-C4' energy: -91.171
flat angles C4'-P-C4' energy: -105.735
flat angles P-C4'-P energy: -73.877
tors. eta vs tors. theta energy: -142.484
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: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -1619.292018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.292018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.292018 (E_RNA)
where:
Base-Base interactions energy: -1160.781
where: short stacking energy: -451.352
Base-Backbone interact. energy: -3.951
local terms energy: -454.559917
where:
bonds (distance) C4'-P energy: -102.909
bonds (distance) P-C4' energy: -83.991
flat angles C4'-P-C4' energy: -99.244
flat angles P-C4'-P energy: -63.348
tors. eta vs tors. theta energy: -105.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -1599.542799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.542799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.542799 (E_RNA)
where:
Base-Base interactions energy: -1127.591
where: short stacking energy: -437.459
Base-Backbone interact. energy: -2.863
local terms energy: -469.088142
where:
bonds (distance) C4'-P energy: -84.771
bonds (distance) P-C4' energy: -113.328
flat angles C4'-P-C4' energy: -99.859
flat angles P-C4'-P energy: -65.551
tors. eta vs tors. theta energy: -105.578
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: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -1476.544543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.544543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.544543 (E_RNA)
where:
Base-Base interactions energy: -1060.247
where: short stacking energy: -425.686
Base-Backbone interact. energy: -2.322
local terms energy: -413.974954
where:
bonds (distance) C4'-P energy: -78.440
bonds (distance) P-C4' energy: -85.627
flat angles C4'-P-C4' energy: -104.635
flat angles P-C4'-P energy: -51.237
tors. eta vs tors. theta energy: -94.036
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: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -1356.592873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1356.592873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1356.592873 (E_RNA)
where:
Base-Base interactions energy: -910.720
where: short stacking energy: -392.509
Base-Backbone interact. energy: 5.015
local terms energy: -450.887814
where:
bonds (distance) C4'-P energy: -78.936
bonds (distance) P-C4' energy: -98.740
flat angles C4'-P-C4' energy: -110.309
flat angles P-C4'-P energy: -60.692
tors. eta vs tors. theta energy: -102.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -1284.710712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.710712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.710712 (E_RNA)
where:
Base-Base interactions energy: -909.478
where: short stacking energy: -374.944
Base-Backbone interact. energy: -3.130
local terms energy: -372.102786
where:
bonds (distance) C4'-P energy: -74.303
bonds (distance) P-C4' energy: -82.082
flat angles C4'-P-C4' energy: -73.705
flat angles P-C4'-P energy: -57.731
tors. eta vs tors. theta energy: -84.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -1065.362694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.362694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.362694 (E_RNA)
where:
Base-Base interactions energy: -671.072
where: short stacking energy: -280.883
Base-Backbone interact. energy: 3.299
local terms energy: -397.590106
where:
bonds (distance) C4'-P energy: -82.177
bonds (distance) P-C4' energy: -107.769
flat angles C4'-P-C4' energy: -99.708
flat angles P-C4'-P energy: -49.273
tors. eta vs tors. theta energy: -58.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -1992.786947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1992.786947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1992.786947 (E_RNA)
where:
Base-Base interactions energy: -1438.555
where: short stacking energy: -567.986
Base-Backbone interact. energy: 1.816
local terms energy: -556.047243
where:
bonds (distance) C4'-P energy: -101.002
bonds (distance) P-C4' energy: -97.309
flat angles C4'-P-C4' energy: -117.043
flat angles P-C4'-P energy: -86.490
tors. eta vs tors. theta energy: -154.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -1852.847572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.847572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.847572 (E_RNA)
where:
Base-Base interactions energy: -1335.443
where: short stacking energy: -546.749
Base-Backbone interact. energy: -0.061
local terms energy: -517.343829
where:
bonds (distance) C4'-P energy: -101.790
bonds (distance) P-C4' energy: -93.343
flat angles C4'-P-C4' energy: -107.079
flat angles P-C4'-P energy: -73.156
tors. eta vs tors. theta energy: -141.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -1842.736732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.736732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.736732 (E_RNA)
where:
Base-Base interactions energy: -1307.082
where: short stacking energy: -525.793
Base-Backbone interact. energy: -1.315
local terms energy: -534.339770
where:
bonds (distance) C4'-P energy: -95.446
bonds (distance) P-C4' energy: -110.492
flat angles C4'-P-C4' energy: -112.377
flat angles P-C4'-P energy: -67.361
tors. eta vs tors. theta energy: -148.664
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: 21
Temperature: 1.050000
Total energy: -1782.654677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.654677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.654677 (E_RNA)
where:
Base-Base interactions energy: -1283.963
where: short stacking energy: -506.854
Base-Backbone interact. energy: -2.993
local terms energy: -495.698634
where:
bonds (distance) C4'-P energy: -97.656
bonds (distance) P-C4' energy: -86.177
flat angles C4'-P-C4' energy: -109.198
flat angles P-C4'-P energy: -68.680
tors. eta vs tors. theta energy: -133.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -1654.769351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.769351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.769351 (E_RNA)
where:
Base-Base interactions energy: -1149.982
where: short stacking energy: -477.951
Base-Backbone interact. energy: -2.518
local terms energy: -502.269462
where:
bonds (distance) C4'-P energy: -88.733
bonds (distance) P-C4' energy: -91.611
flat angles C4'-P-C4' energy: -110.689
flat angles P-C4'-P energy: -79.243
tors. eta vs tors. theta energy: -131.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -1622.691630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.691630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.691630 (E_RNA)
where:
Base-Base interactions energy: -1153.349
where: short stacking energy: -457.563
Base-Backbone interact. energy: 0.134
local terms energy: -469.476583
where:
bonds (distance) C4'-P energy: -93.546
bonds (distance) P-C4' energy: -90.404
flat angles C4'-P-C4' energy: -97.075
flat angles P-C4'-P energy: -66.401
tors. eta vs tors. theta energy: -122.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -1481.615456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.615456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.615456 (E_RNA)
where:
Base-Base interactions energy: -1028.099
where: short stacking energy: -413.820
Base-Backbone interact. energy: -0.298
local terms energy: -453.218346
where:
bonds (distance) C4'-P energy: -87.212
bonds (distance) P-C4' energy: -96.230
flat angles C4'-P-C4' energy: -100.665
flat angles P-C4'-P energy: -72.405
tors. eta vs tors. theta energy: -96.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -1311.886931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.886931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.886931 (E_RNA)
where:
Base-Base interactions energy: -902.924
where: short stacking energy: -367.373
Base-Backbone interact. energy: -1.071
local terms energy: -407.891679
where:
bonds (distance) C4'-P energy: -75.592
bonds (distance) P-C4' energy: -99.186
flat angles C4'-P-C4' energy: -96.827
flat angles P-C4'-P energy: -47.615
tors. eta vs tors. theta energy: -88.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -1242.683334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.683334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.683334 (E_RNA)
where:
Base-Base interactions energy: -867.926
where: short stacking energy: -356.991
Base-Backbone interact. energy: -0.203
local terms energy: -374.554526
where:
bonds (distance) C4'-P energy: -81.394
bonds (distance) P-C4' energy: -80.146
flat angles C4'-P-C4' energy: -80.825
flat angles P-C4'-P energy: -51.514
tors. eta vs tors. theta energy: -80.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -1088.068623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.068623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.068623 (E_RNA)
where:
Base-Base interactions energy: -697.589
where: short stacking energy: -319.481
Base-Backbone interact. energy: -5.089
local terms energy: -385.389957
where:
bonds (distance) C4'-P energy: -79.266
bonds (distance) P-C4' energy: -92.959
flat angles C4'-P-C4' energy: -88.722
flat angles P-C4'-P energy: -56.613
tors. eta vs tors. theta energy: -67.829
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: 1
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -1991.572637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.572637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.572637 (E_RNA)
where:
Base-Base interactions energy: -1441.745
where: short stacking energy: -577.306
Base-Backbone interact. energy: -2.258
local terms energy: -547.570211
where:
bonds (distance) C4'-P energy: -100.261
bonds (distance) P-C4' energy: -94.465
flat angles C4'-P-C4' energy: -122.343
flat angles P-C4'-P energy: -76.944
tors. eta vs tors. theta energy: -153.557
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: 3
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -1870.042327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.042327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.042327 (E_RNA)
where:
Base-Base interactions energy: -1358.487
where: short stacking energy: -530.999
Base-Backbone interact. energy: 2.312
local terms energy: -513.867133
where:
bonds (distance) C4'-P energy: -85.741
bonds (distance) P-C4' energy: -84.720
flat angles C4'-P-C4' energy: -114.910
flat angles P-C4'-P energy: -85.887
tors. eta vs tors. theta energy: -142.609
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: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -1846.284542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.284542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.284542 (E_RNA)
where:
Base-Base interactions energy: -1323.823
where: short stacking energy: -523.142
Base-Backbone interact. energy: -1.968
local terms energy: -520.493403
where:
bonds (distance) C4'-P energy: -94.040
bonds (distance) P-C4' energy: -102.402
flat angles C4'-P-C4' energy: -106.923
flat angles P-C4'-P energy: -78.574
tors. eta vs tors. theta energy: -138.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -1787.005582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.005582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.005582 (E_RNA)
where:
Base-Base interactions energy: -1277.541
where: short stacking energy: -498.037
Base-Backbone interact. energy: -0.676
local terms energy: -508.789433
where:
bonds (distance) C4'-P energy: -90.773
bonds (distance) P-C4' energy: -90.220
flat angles C4'-P-C4' energy: -109.246
flat angles P-C4'-P energy: -76.106
tors. eta vs tors. theta energy: -142.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -1669.361057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.361057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.361057 (E_RNA)
where:
Base-Base interactions energy: -1190.478
where: short stacking energy: -487.126
Base-Backbone interact. energy: 2.552
local terms energy: -481.435415
where:
bonds (distance) C4'-P energy: -83.231
bonds (distance) P-C4' energy: -88.221
flat angles C4'-P-C4' energy: -115.024
flat angles P-C4'-P energy: -66.321
tors. eta vs tors. theta energy: -128.639
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: 8
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -1636.258571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.258571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.258571 (E_RNA)
where:
Base-Base interactions energy: -1156.337
where: short stacking energy: -476.487
Base-Backbone interact. energy: -2.357
local terms energy: -477.565421
where:
bonds (distance) C4'-P energy: -89.563
bonds (distance) P-C4' energy: -87.498
flat angles C4'-P-C4' energy: -96.402
flat angles P-C4'-P energy: -71.387
tors. eta vs tors. theta energy: -132.715
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: 22
Temperature: 1.200000
Total energy: -1448.463124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.463124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.463124 (E_RNA)
where:
Base-Base interactions energy: -1032.037
where: short stacking energy: -416.444
Base-Backbone interact. energy: -3.559
local terms energy: -412.867511
where:
bonds (distance) C4'-P energy: -81.503
bonds (distance) P-C4' energy: -73.485
flat angles C4'-P-C4' energy: -95.068
flat angles P-C4'-P energy: -64.711
tors. eta vs tors. theta energy: -98.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -1319.067441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.067441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.067441 (E_RNA)
where:
Base-Base interactions energy: -910.008
where: short stacking energy: -364.736
Base-Backbone interact. energy: -0.622
local terms energy: -408.437395
where:
bonds (distance) C4'-P energy: -82.795
bonds (distance) P-C4' energy: -73.343
flat angles C4'-P-C4' energy: -96.528
flat angles P-C4'-P energy: -69.356
tors. eta vs tors. theta energy: -86.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -1212.971468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.971468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.971468 (E_RNA)
where:
Base-Base interactions energy: -806.657
where: short stacking energy: -342.287
Base-Backbone interact. energy: 1.446
local terms energy: -407.760350
where:
bonds (distance) C4'-P energy: -69.005
bonds (distance) P-C4' energy: -97.550
flat angles C4'-P-C4' energy: -96.936
flat angles P-C4'-P energy: -63.156
tors. eta vs tors. theta energy: -81.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -1077.592202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.592202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.592202 (E_RNA)
where:
Base-Base interactions energy: -703.411
where: short stacking energy: -306.043
Base-Backbone interact. energy: 0.029
local terms energy: -374.209746
where:
bonds (distance) C4'-P energy: -84.083
bonds (distance) P-C4' energy: -82.923
flat angles C4'-P-C4' energy: -89.916
flat angles P-C4'-P energy: -59.454
tors. eta vs tors. theta energy: -57.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -1955.239479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.239479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.239479 (E_RNA)
where:
Base-Base interactions energy: -1407.984
where: short stacking energy: -549.555
Base-Backbone interact. energy: -0.022
local terms energy: -547.233414
where:
bonds (distance) C4'-P energy: -101.859
bonds (distance) P-C4' energy: -106.235
flat angles C4'-P-C4' energy: -124.640
flat angles P-C4'-P energy: -63.759
tors. eta vs tors. theta energy: -150.741
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: 23
Temperature: 0.950000
Total energy: -1882.587219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.587219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.587219 (E_RNA)
where:
Base-Base interactions energy: -1338.085
where: short stacking energy: -555.027
Base-Backbone interact. energy: 1.039
local terms energy: -545.541321
where:
bonds (distance) C4'-P energy: -97.519
bonds (distance) P-C4' energy: -109.719
flat angles C4'-P-C4' energy: -107.558
flat angles P-C4'-P energy: -79.651
tors. eta vs tors. theta energy: -151.094
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: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -1846.935307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.935307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.935307 (E_RNA)
where:
Base-Base interactions energy: -1320.568
where: short stacking energy: -516.559
Base-Backbone interact. energy: -2.747
local terms energy: -523.620322
where:
bonds (distance) C4'-P energy: -102.116
bonds (distance) P-C4' energy: -95.361
flat angles C4'-P-C4' energy: -114.359
flat angles P-C4'-P energy: -73.009
tors. eta vs tors. theta energy: -138.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -1771.700311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.700311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.700311 (E_RNA)
where:
Base-Base interactions energy: -1248.744
where: short stacking energy: -497.209
Base-Backbone interact. energy: -3.920
local terms energy: -519.036361
where:
bonds (distance) C4'-P energy: -106.937
bonds (distance) P-C4' energy: -92.448
flat angles C4'-P-C4' energy: -111.654
flat angles P-C4'-P energy: -79.976
tors. eta vs tors. theta energy: -128.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -1651.587463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.587463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.587463 (E_RNA)
where:
Base-Base interactions energy: -1168.707
where: short stacking energy: -458.283
Base-Backbone interact. energy: -2.986
local terms energy: -479.894753
where:
bonds (distance) C4'-P energy: -77.796
bonds (distance) P-C4' energy: -101.719
flat angles C4'-P-C4' energy: -109.883
flat angles P-C4'-P energy: -64.507
tors. eta vs tors. theta energy: -125.990
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: 6, replica: 8
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -1613.823747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.823747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.823747 (E_RNA)
where:
Base-Base interactions energy: -1125.639
where: short stacking energy: -454.236
Base-Backbone interact. energy: -1.197
local terms energy: -486.987205
where:
bonds (distance) C4'-P energy: -94.163
bonds (distance) P-C4' energy: -104.486
flat angles C4'-P-C4' energy: -100.112
flat angles P-C4'-P energy: -71.402
tors. eta vs tors. theta energy: -116.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -1458.266411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.266411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.266411 (E_RNA)
where:
Base-Base interactions energy: -1043.808
where: short stacking energy: -397.121
Base-Backbone interact. energy: 1.412
local terms energy: -415.869958
where:
bonds (distance) C4'-P energy: -86.692
bonds (distance) P-C4' energy: -77.326
flat angles C4'-P-C4' energy: -100.672
flat angles P-C4'-P energy: -69.893
tors. eta vs tors. theta energy: -81.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -1316.514268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.514268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.514268 (E_RNA)
where:
Base-Base interactions energy: -911.709
where: short stacking energy: -384.700
Base-Backbone interact. energy: 0.826
local terms energy: -405.631302
where:
bonds (distance) C4'-P energy: -70.451
bonds (distance) P-C4' energy: -91.317
flat angles C4'-P-C4' energy: -93.337
flat angles P-C4'-P energy: -56.108
tors. eta vs tors. theta energy: -94.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -1238.921733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1238.921733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1238.921733 (E_RNA)
where:
Base-Base interactions energy: -858.479
where: short stacking energy: -361.594
Base-Backbone interact. energy: -3.199
local terms energy: -377.243581
where:
bonds (distance) C4'-P energy: -78.501
bonds (distance) P-C4' energy: -73.342
flat angles C4'-P-C4' energy: -86.465
flat angles P-C4'-P energy: -51.504
tors. eta vs tors. theta energy: -87.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -1094.722731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.722731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.722731 (E_RNA)
where:
Base-Base interactions energy: -731.811
where: short stacking energy: -326.332
Base-Backbone interact. energy: -1.588
local terms energy: -361.323687
where:
bonds (distance) C4'-P energy: -79.815
bonds (distance) P-C4' energy: -73.214
flat angles C4'-P-C4' energy: -83.342
flat angles P-C4'-P energy: -52.996
tors. eta vs tors. theta energy: -71.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -1951.231522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.231522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.231522 (E_RNA)
where:
Base-Base interactions energy: -1394.093
where: short stacking energy: -556.506
Base-Backbone interact. energy: -2.832
local terms energy: -554.306719
where:
bonds (distance) C4'-P energy: -106.560
bonds (distance) P-C4' energy: -106.018
flat angles C4'-P-C4' energy: -125.796
flat angles P-C4'-P energy: -66.400
tors. eta vs tors. theta energy: -149.532
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: 2, replica: 3
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -1899.102508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.102508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.102508 (E_RNA)
where:
Base-Base interactions energy: -1323.290
where: short stacking energy: -536.033
Base-Backbone interact. energy: -1.960
local terms energy: -573.852314
where:
bonds (distance) C4'-P energy: -106.697
bonds (distance) P-C4' energy: -107.759
flat angles C4'-P-C4' energy: -125.826
flat angles P-C4'-P energy: -82.096
tors. eta vs tors. theta energy: -151.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -1854.805913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.805913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.805913 (E_RNA)
where:
Base-Base interactions energy: -1313.786
where: short stacking energy: -528.660
Base-Backbone interact. energy: -0.178
local terms energy: -540.842229
where:
bonds (distance) C4'-P energy: -85.342
bonds (distance) P-C4' energy: -105.796
flat angles C4'-P-C4' energy: -119.427
flat angles P-C4'-P energy: -79.169
tors. eta vs tors. theta energy: -151.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -1764.039318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.039318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.039318 (E_RNA)
where:
Base-Base interactions energy: -1270.724
where: short stacking energy: -500.608
Base-Backbone interact. energy: -0.239
local terms energy: -493.076236
where:
bonds (distance) C4'-P energy: -85.637
bonds (distance) P-C4' energy: -95.840
flat angles C4'-P-C4' energy: -114.681
flat angles P-C4'-P energy: -70.643
tors. eta vs tors. theta energy: -126.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -1610.828183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.828183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.828183 (E_RNA)
where:
Base-Base interactions energy: -1143.684
where: short stacking energy: -464.420
Base-Backbone interact. energy: 0.031
local terms energy: -467.175480
where:
bonds (distance) C4'-P energy: -81.475
bonds (distance) P-C4' energy: -96.396
flat angles C4'-P-C4' energy: -99.788
flat angles P-C4'-P energy: -73.544
tors. eta vs tors. theta energy: -115.972
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: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -1626.505472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.505472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.505472 (E_RNA)
where:
Base-Base interactions energy: -1153.207
where: short stacking energy: -467.243
Base-Backbone interact. energy: -1.605
local terms energy: -471.693354
where:
bonds (distance) C4'-P energy: -89.632
bonds (distance) P-C4' energy: -91.667
flat angles C4'-P-C4' energy: -101.213
flat angles P-C4'-P energy: -60.152
tors. eta vs tors. theta energy: -129.030
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: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -1447.042681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.042681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.042681 (E_RNA)
where:
Base-Base interactions energy: -1025.406
where: short stacking energy: -403.379
Base-Backbone interact. energy: 1.681
local terms energy: -423.318322
where:
bonds (distance) C4'-P energy: -93.494
bonds (distance) P-C4' energy: -88.222
flat angles C4'-P-C4' energy: -84.405
flat angles P-C4'-P energy: -62.535
tors. eta vs tors. theta energy: -94.663
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: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -1286.982430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.982430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.982430 (E_RNA)
where:
Base-Base interactions energy: -899.786
where: short stacking energy: -361.855
Base-Backbone interact. energy: 4.820
local terms energy: -392.016254
where:
bonds (distance) C4'-P energy: -65.170
bonds (distance) P-C4' energy: -100.676
flat angles C4'-P-C4' energy: -94.140
flat angles P-C4'-P energy: -50.080
tors. eta vs tors. theta energy: -81.950
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: 9, replica: 9
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -1162.786626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1162.786626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1162.786626 (E_RNA)
where:
Base-Base interactions energy: -796.955
where: short stacking energy: -309.164
Base-Backbone interact. energy: -3.739
local terms energy: -362.093101
where:
bonds (distance) C4'-P energy: -67.555
bonds (distance) P-C4' energy: -79.386
flat angles C4'-P-C4' energy: -98.501
flat angles P-C4'-P energy: -59.842
tors. eta vs tors. theta energy: -56.810
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: 10, replica: 10
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -1081.113510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.113510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.113510 (E_RNA)
where:
Base-Base interactions energy: -726.216
where: short stacking energy: -330.099
Base-Backbone interact. energy: 0.278
local terms energy: -355.175487
where:
bonds (distance) C4'-P energy: -83.632
bonds (distance) P-C4' energy: -91.092
flat angles C4'-P-C4' energy: -66.428
flat angles P-C4'-P energy: -60.811
tors. eta vs tors. theta energy: -53.213
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: 1
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -1978.471346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.471346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.471346 (E_RNA)
where:
Base-Base interactions energy: -1433.743
where: short stacking energy: -559.948
Base-Backbone interact. energy: -1.055
local terms energy: -543.673850
where:
bonds (distance) C4'-P energy: -98.487
bonds (distance) P-C4' energy: -100.338
flat angles C4'-P-C4' energy: -116.316
flat angles P-C4'-P energy: -75.216
tors. eta vs tors. theta energy: -153.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -1896.782997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.782997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.782997 (E_RNA)
where:
Base-Base interactions energy: -1355.338
where: short stacking energy: -555.671
Base-Backbone interact. energy: -1.005
local terms energy: -540.440382
where:
bonds (distance) C4'-P energy: -101.505
bonds (distance) P-C4' energy: -97.374
flat angles C4'-P-C4' energy: -123.233
flat angles P-C4'-P energy: -65.067
tors. eta vs tors. theta energy: -153.261
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: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -1852.238831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.238831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.238831 (E_RNA)
where:
Base-Base interactions energy: -1334.208
where: short stacking energy: -552.052
Base-Backbone interact. energy: -0.968
local terms energy: -517.062111
where:
bonds (distance) C4'-P energy: -90.969
bonds (distance) P-C4' energy: -94.851
flat angles C4'-P-C4' energy: -113.174
flat angles P-C4'-P energy: -65.083
tors. eta vs tors. theta energy: -152.986
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: 4
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -1770.624449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.624449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.624449 (E_RNA)
where:
Base-Base interactions energy: -1254.017
where: short stacking energy: -493.049
Base-Backbone interact. energy: 0.534
local terms energy: -517.141634
where:
bonds (distance) C4'-P energy: -92.412
bonds (distance) P-C4' energy: -99.305
flat angles C4'-P-C4' energy: -110.936
flat angles P-C4'-P energy: -79.279
tors. eta vs tors. theta energy: -135.209
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: 5, replica: 8
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -1659.447986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.447986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.447986 (E_RNA)
where:
Base-Base interactions energy: -1189.286
where: short stacking energy: -474.379
Base-Backbone interact. energy: -2.319
local terms energy: -467.842902
where:
bonds (distance) C4'-P energy: -90.486
bonds (distance) P-C4' energy: -83.120
flat angles C4'-P-C4' energy: -103.925
flat angles P-C4'-P energy: -61.587
tors. eta vs tors. theta energy: -128.725
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: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -1644.375979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.375979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.375979 (E_RNA)
where:
Base-Base interactions energy: -1187.866
where: short stacking energy: -476.033
Base-Backbone interact. energy: 1.908
local terms energy: -458.418630
where:
bonds (distance) C4'-P energy: -86.455
bonds (distance) P-C4' energy: -83.517
flat angles C4'-P-C4' energy: -105.591
flat angles P-C4'-P energy: -53.157
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: 7, replica: 7
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -1397.120035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.120035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.120035 (E_RNA)
where:
Base-Base interactions energy: -978.783
where: short stacking energy: -381.068
Base-Backbone interact. energy: -0.448
local terms energy: -417.889551
where:
bonds (distance) C4'-P energy: -80.363
bonds (distance) P-C4' energy: -94.120
flat angles C4'-P-C4' energy: -93.715
flat angles P-C4'-P energy: -66.188
tors. eta vs tors. theta energy: -83.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -1272.180332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1272.180332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1272.180332 (E_RNA)
where:
Base-Base interactions energy: -891.126
where: short stacking energy: -358.025
Base-Backbone interact. energy: -1.102
local terms energy: -379.952374
where:
bonds (distance) C4'-P energy: -74.412
bonds (distance) P-C4' energy: -80.751
flat angles C4'-P-C4' energy: -97.282
flat angles P-C4'-P energy: -52.576
tors. eta vs tors. theta energy: -74.932
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: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -1135.530788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.530788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.530788 (E_RNA)
where:
Base-Base interactions energy: -777.426
where: short stacking energy: -325.310
Base-Backbone interact. energy: 0.667
local terms energy: -358.771148
where:
bonds (distance) C4'-P energy: -63.533
bonds (distance) P-C4' energy: -91.492
flat angles C4'-P-C4' energy: -81.926
flat angles P-C4'-P energy: -53.011
tors. eta vs tors. theta energy: -68.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -1038.786274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.786274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.786274 (E_RNA)
where:
Base-Base interactions energy: -664.902
where: short stacking energy: -290.238
Base-Backbone interact. energy: -2.633
local terms energy: -371.251501
where:
bonds (distance) C4'-P energy: -88.397
bonds (distance) P-C4' energy: -83.972
flat angles C4'-P-C4' energy: -88.871
flat angles P-C4'-P energy: -46.641
tors. eta vs tors. theta energy: -63.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -1963.049642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.049642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.049642 (E_RNA)
where:
Base-Base interactions energy: -1421.370
where: short stacking energy: -561.142
Base-Backbone interact. energy: -1.477
local terms energy: -540.202316
where:
bonds (distance) C4'-P energy: -96.366
bonds (distance) P-C4' energy: -103.638
flat angles C4'-P-C4' energy: -122.761
flat angles P-C4'-P energy: -61.566
tors. eta vs tors. theta energy: -155.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -1903.171065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.171065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.171065 (E_RNA)
where:
Base-Base interactions energy: -1357.107
where: short stacking energy: -551.641
Base-Backbone interact. energy: -2.008
local terms energy: -544.055661
where:
bonds (distance) C4'-P energy: -98.470
bonds (distance) P-C4' energy: -88.998
flat angles C4'-P-C4' energy: -124.001
flat angles P-C4'-P energy: -78.398
tors. eta vs tors. theta energy: -154.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -1832.021649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.021649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.021649 (E_RNA)
where:
Base-Base interactions energy: -1295.343
where: short stacking energy: -499.648
Base-Backbone interact. energy: -1.858
local terms energy: -534.820977
where:
bonds (distance) C4'-P energy: -100.628
bonds (distance) P-C4' energy: -98.711
flat angles C4'-P-C4' energy: -113.316
flat angles P-C4'-P energy: -74.568
tors. eta vs tors. theta energy: -147.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -1742.739823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.739823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.739823 (E_RNA)
where:
Base-Base interactions energy: -1221.706
where: short stacking energy: -482.779
Base-Backbone interact. energy: 0.247
local terms energy: -521.280933
where:
bonds (distance) C4'-P energy: -104.105
bonds (distance) P-C4' energy: -102.552
flat angles C4'-P-C4' energy: -109.709
flat angles P-C4'-P energy: -75.599
tors. eta vs tors. theta energy: -129.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -1651.696856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.696856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.696856 (E_RNA)
where:
Base-Base interactions energy: -1168.479
where: short stacking energy: -466.829
Base-Backbone interact. energy: -0.817
local terms energy: -482.399990
where:
bonds (distance) C4'-P energy: -88.140
bonds (distance) P-C4' energy: -93.074
flat angles C4'-P-C4' energy: -104.583
flat angles P-C4'-P energy: -71.460
tors. eta vs tors. theta energy: -125.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -1614.613553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.613553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.613553 (E_RNA)
where:
Base-Base interactions energy: -1168.944
where: short stacking energy: -461.295
Base-Backbone interact. energy: -4.233
local terms energy: -441.437070
where:
bonds (distance) C4'-P energy: -84.195
bonds (distance) P-C4' energy: -81.950
flat angles C4'-P-C4' energy: -101.974
flat angles P-C4'-P energy: -48.099
tors. eta vs tors. theta energy: -125.220
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: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -1405.848682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.848682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.848682 (E_RNA)
where:
Base-Base interactions energy: -975.320
where: short stacking energy: -391.672
Base-Backbone interact. energy: -1.449
local terms energy: -429.080162
where:
bonds (distance) C4'-P energy: -91.558
bonds (distance) P-C4' energy: -76.071
flat angles C4'-P-C4' energy: -112.117
flat angles P-C4'-P energy: -56.534
tors. eta vs tors. theta energy: -92.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -1287.884384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.884384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.884384 (E_RNA)
where:
Base-Base interactions energy: -908.902
where: short stacking energy: -380.910
Base-Backbone interact. energy: -2.838
local terms energy: -376.144454
where:
bonds (distance) C4'-P energy: -66.520
bonds (distance) P-C4' energy: -85.839
flat angles C4'-P-C4' energy: -89.026
flat angles P-C4'-P energy: -44.966
tors. eta vs tors. theta energy: -89.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -1157.264559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.264559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.264559 (E_RNA)
where:
Base-Base interactions energy: -791.221
where: short stacking energy: -336.226
Base-Backbone interact. energy: -2.738
local terms energy: -363.305688
where:
bonds (distance) C4'-P energy: -71.836
bonds (distance) P-C4' energy: -87.835
flat angles C4'-P-C4' energy: -82.774
flat angles P-C4'-P energy: -66.344
tors. eta vs tors. theta energy: -54.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -988.650326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -988.650326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -988.650326 (E_RNA)
where:
Base-Base interactions energy: -654.108
where: short stacking energy: -276.423
Base-Backbone interact. energy: 1.140
local terms energy: -335.682683
where:
bonds (distance) C4'-P energy: -84.690
bonds (distance) P-C4' energy: -80.356
flat angles C4'-P-C4' energy: -74.777
flat angles P-C4'-P energy: -42.488
tors. eta vs tors. theta energy: -53.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -1949.393798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.393798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.393798 (E_RNA)
where:
Base-Base interactions energy: -1396.649
where: short stacking energy: -545.514
Base-Backbone interact. energy: 5.502
local terms energy: -558.246889
where:
bonds (distance) C4'-P energy: -92.025
bonds (distance) P-C4' energy: -112.115
flat angles C4'-P-C4' energy: -124.915
flat angles P-C4'-P energy: -79.295
tors. eta vs tors. theta energy: -149.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -1864.400777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.400777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.400777 (E_RNA)
where:
Base-Base interactions energy: -1348.879
where: short stacking energy: -546.354
Base-Backbone interact. energy: 5.382
local terms energy: -520.904081
where:
bonds (distance) C4'-P energy: -90.591
bonds (distance) P-C4' energy: -102.226
flat angles C4'-P-C4' energy: -114.669
flat angles P-C4'-P energy: -68.151
tors. eta vs tors. theta energy: -145.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -1869.895664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.895664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.895664 (E_RNA)
where:
Base-Base interactions energy: -1338.991
where: short stacking energy: -559.465
Base-Backbone interact. energy: -1.098
local terms energy: -529.806762
where:
bonds (distance) C4'-P energy: -89.223
bonds (distance) P-C4' energy: -97.209
flat angles C4'-P-C4' energy: -105.880
flat angles P-C4'-P energy: -83.143
tors. eta vs tors. theta energy: -154.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -1756.847596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.847596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.847596 (E_RNA)
where:
Base-Base interactions energy: -1236.925
where: short stacking energy: -494.841
Base-Backbone interact. energy: -2.162
local terms energy: -517.760235
where:
bonds (distance) C4'-P energy: -102.153
bonds (distance) P-C4' energy: -85.639
flat angles C4'-P-C4' energy: -121.162
flat angles P-C4'-P energy: -79.810
tors. eta vs tors. theta energy: -128.996
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: 27
Temperature: 1.100000
Total energy: -1662.060175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.060175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.060175 (E_RNA)
where:
Base-Base interactions energy: -1182.322
where: short stacking energy: -465.770
Base-Backbone interact. energy: -1.977
local terms energy: -477.760381
where:
bonds (distance) C4'-P energy: -87.727
bonds (distance) P-C4' energy: -89.668
flat angles C4'-P-C4' energy: -102.239
flat angles P-C4'-P energy: -78.668
tors. eta vs tors. theta energy: -119.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -1599.008326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.008326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.008326 (E_RNA)
where:
Base-Base interactions energy: -1131.490
where: short stacking energy: -444.664
Base-Backbone interact. energy: -1.617
local terms energy: -465.901987
where:
bonds (distance) C4'-P energy: -68.984
bonds (distance) P-C4' energy: -120.899
flat angles C4'-P-C4' energy: -105.334
flat angles P-C4'-P energy: -59.633
tors. eta vs tors. theta energy: -111.053
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: 27
Temperature: 1.200000
Total energy: -1431.798649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.798649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.798649 (E_RNA)
where:
Base-Base interactions energy: -993.990
where: short stacking energy: -395.462
Base-Backbone interact. energy: 2.731
local terms energy: -440.540525
where:
bonds (distance) C4'-P energy: -77.992
bonds (distance) P-C4' energy: -92.383
flat angles C4'-P-C4' energy: -107.103
flat angles P-C4'-P energy: -56.492
tors. eta vs tors. theta energy: -106.570
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: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -1282.050119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.050119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.050119 (E_RNA)
where:
Base-Base interactions energy: -887.807
where: short stacking energy: -359.145
Base-Backbone interact. energy: 2.449
local terms energy: -396.691477
where:
bonds (distance) C4'-P energy: -83.731
bonds (distance) P-C4' energy: -89.349
flat angles C4'-P-C4' energy: -89.651
flat angles P-C4'-P energy: -61.444
tors. eta vs tors. theta energy: -72.517
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: 9
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -1216.226813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.226813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.226813 (E_RNA)
where:
Base-Base interactions energy: -824.933
where: short stacking energy: -350.145
Base-Backbone interact. energy: 1.296
local terms energy: -392.590338
where:
bonds (distance) C4'-P energy: -93.681
bonds (distance) P-C4' energy: -90.911
flat angles C4'-P-C4' energy: -83.821
flat angles P-C4'-P energy: -49.907
tors. eta vs tors. theta energy: -74.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -919.611217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -919.611217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -919.611217 (E_RNA)
where:
Base-Base interactions energy: -610.870
where: short stacking energy: -256.713
Base-Backbone interact. energy: 2.466
local terms energy: -311.207538
where:
bonds (distance) C4'-P energy: -79.478
bonds (distance) P-C4' energy: -80.112
flat angles C4'-P-C4' energy: -62.569
flat angles P-C4'-P energy: -51.698
tors. eta vs tors. theta energy: -37.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -1973.467647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.467647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.467647 (E_RNA)
where:
Base-Base interactions energy: -1434.668
where: short stacking energy: -570.976
Base-Backbone interact. energy: -2.917
local terms energy: -535.882724
where:
bonds (distance) C4'-P energy: -88.829
bonds (distance) P-C4' energy: -99.949
flat angles C4'-P-C4' energy: -118.806
flat angles P-C4'-P energy: -75.066
tors. eta vs tors. theta energy: -153.232
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: 28
Temperature: 0.950000
Total energy: -1908.022456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.022456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.022456 (E_RNA)
where:
Base-Base interactions energy: -1359.621
where: short stacking energy: -547.419
Base-Backbone interact. energy: 5.949
local terms energy: -554.350616
where:
bonds (distance) C4'-P energy: -87.208
bonds (distance) P-C4' energy: -111.629
flat angles C4'-P-C4' energy: -120.823
flat angles P-C4'-P energy: -81.038
tors. eta vs tors. theta energy: -153.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -1864.915716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.915716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.915716 (E_RNA)
where:
Base-Base interactions energy: -1322.207
where: short stacking energy: -551.027
Base-Backbone interact. energy: 3.578
local terms energy: -546.286613
where:
bonds (distance) C4'-P energy: -101.708
bonds (distance) P-C4' energy: -95.706
flat angles C4'-P-C4' energy: -118.875
flat angles P-C4'-P energy: -77.547
tors. eta vs tors. theta energy: -152.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -1751.270055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.270055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.270055 (E_RNA)
where:
Base-Base interactions energy: -1282.226
where: short stacking energy: -508.079
Base-Backbone interact. energy: 1.953
local terms energy: -470.996990
where:
bonds (distance) C4'-P energy: -71.304
bonds (distance) P-C4' energy: -93.304
flat angles C4'-P-C4' energy: -106.333
flat angles P-C4'-P energy: -67.158
tors. eta vs tors. theta energy: -132.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -1652.495077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.495077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.495077 (E_RNA)
where:
Base-Base interactions energy: -1169.156
where: short stacking energy: -498.878
Base-Backbone interact. energy: 1.176
local terms energy: -484.515178
where:
bonds (distance) C4'-P energy: -81.749
bonds (distance) P-C4' energy: -100.069
flat angles C4'-P-C4' energy: -97.842
flat angles P-C4'-P energy: -69.767
tors. eta vs tors. theta energy: -135.089
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: 6, replica: 8
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -1611.248316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.248316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.248316 (E_RNA)
where:
Base-Base interactions energy: -1138.222
where: short stacking energy: -463.174
Base-Backbone interact. energy: 1.520
local terms energy: -474.546952
where:
bonds (distance) C4'-P energy: -98.874
bonds (distance) P-C4' energy: -87.793
flat angles C4'-P-C4' energy: -99.147
flat angles P-C4'-P energy: -64.021
tors. eta vs tors. theta energy: -124.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -1436.242050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.242050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.242050 (E_RNA)
where:
Base-Base interactions energy: -991.177
where: short stacking energy: -398.493
Base-Backbone interact. energy: -2.264
local terms energy: -442.801941
where:
bonds (distance) C4'-P energy: -82.645
bonds (distance) P-C4' energy: -88.324
flat angles C4'-P-C4' energy: -95.572
flat angles P-C4'-P energy: -70.089
tors. eta vs tors. theta energy: -106.171
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: 28
Temperature: 1.250000
Total energy: -1287.534891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.534891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.534891 (E_RNA)
where:
Base-Base interactions energy: -877.060
where: short stacking energy: -359.853
Base-Backbone interact. energy: 1.246
local terms energy: -411.721430
where:
bonds (distance) C4'-P energy: -85.566
bonds (distance) P-C4' energy: -91.231
flat angles C4'-P-C4' energy: -89.938
flat angles P-C4'-P energy: -57.587
tors. eta vs tors. theta energy: -87.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -1155.352000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.352000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.352000 (E_RNA)
where:
Base-Base interactions energy: -786.122
where: short stacking energy: -331.178
Base-Backbone interact. energy: -1.091
local terms energy: -368.138218
where:
bonds (distance) C4'-P energy: -77.098
bonds (distance) P-C4' energy: -86.130
flat angles C4'-P-C4' energy: -81.426
flat angles P-C4'-P energy: -59.432
tors. eta vs tors. theta energy: -64.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -870.930540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -870.930540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -870.930540 (E_RNA)
where:
Base-Base interactions energy: -553.759
where: short stacking energy: -249.539
Base-Backbone interact. energy: 0.366
local terms energy: -317.538023
where:
bonds (distance) C4'-P energy: -75.409
bonds (distance) P-C4' energy: -64.696
flat angles C4'-P-C4' energy: -87.665
flat angles P-C4'-P energy: -53.614
tors. eta vs tors. theta energy: -36.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -1994.473319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.473319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.473319 (E_RNA)
where:
Base-Base interactions energy: -1455.160
where: short stacking energy: -584.811
Base-Backbone interact. energy: -0.497
local terms energy: -538.816078
where:
bonds (distance) C4'-P energy: -95.551
bonds (distance) P-C4' energy: -88.465
flat angles C4'-P-C4' energy: -110.670
flat angles P-C4'-P energy: -83.259
tors. eta vs tors. theta energy: -160.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -1888.410808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.410808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.410808 (E_RNA)
where:
Base-Base interactions energy: -1342.690
where: short stacking energy: -535.120
Base-Backbone interact. energy: -2.941
local terms energy: -542.779688
where:
bonds (distance) C4'-P energy: -100.180
bonds (distance) P-C4' energy: -104.930
flat angles C4'-P-C4' energy: -112.951
flat angles P-C4'-P energy: -73.079
tors. eta vs tors. theta energy: -151.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -1823.437755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.437755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.437755 (E_RNA)
where:
Base-Base interactions energy: -1302.591
where: short stacking energy: -515.947
Base-Backbone interact. energy: -1.082
local terms energy: -519.765262
where:
bonds (distance) C4'-P energy: -83.333
bonds (distance) P-C4' energy: -110.565
flat angles C4'-P-C4' energy: -105.257
flat angles P-C4'-P energy: -81.957
tors. eta vs tors. theta energy: -138.654
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: 4
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -1778.095206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.095206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.095206 (E_RNA)
where:
Base-Base interactions energy: -1259.464
where: short stacking energy: -517.189
Base-Backbone interact. energy: -0.645
local terms energy: -517.985732
where:
bonds (distance) C4'-P energy: -93.111
bonds (distance) P-C4' energy: -92.537
flat angles C4'-P-C4' energy: -115.118
flat angles P-C4'-P energy: -73.908
tors. eta vs tors. theta energy: -143.311
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: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -1635.453618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.453618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.453618 (E_RNA)
where:
Base-Base interactions energy: -1161.368
where: short stacking energy: -479.279
Base-Backbone interact. energy: -0.928
local terms energy: -473.157874
where:
bonds (distance) C4'-P energy: -74.358
bonds (distance) P-C4' energy: -95.823
flat angles C4'-P-C4' energy: -100.211
flat angles P-C4'-P energy: -75.233
tors. eta vs tors. theta energy: -127.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -1563.908088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.908088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.908088 (E_RNA)
where:
Base-Base interactions energy: -1087.846
where: short stacking energy: -442.425
Base-Backbone interact. energy: 2.636
local terms energy: -478.698425
where:
bonds (distance) C4'-P energy: -92.306
bonds (distance) P-C4' energy: -95.539
flat angles C4'-P-C4' energy: -117.387
flat angles P-C4'-P energy: -60.711
tors. eta vs tors. theta energy: -112.756
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: 29
Temperature: 1.200000
Total energy: -1378.391731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.391731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.391731 (E_RNA)
where:
Base-Base interactions energy: -960.592
where: short stacking energy: -395.499
Base-Backbone interact. energy: -1.428
local terms energy: -416.371967
where:
bonds (distance) C4'-P energy: -70.076
bonds (distance) P-C4' energy: -95.477
flat angles C4'-P-C4' energy: -104.761
flat angles P-C4'-P energy: -67.278
tors. eta vs tors. theta energy: -78.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -1265.089888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.089888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.089888 (E_RNA)
where:
Base-Base interactions energy: -895.115
where: short stacking energy: -355.630
Base-Backbone interact. energy: -1.435
local terms energy: -368.540199
where:
bonds (distance) C4'-P energy: -79.257
bonds (distance) P-C4' energy: -86.852
flat angles C4'-P-C4' energy: -85.008
flat angles P-C4'-P energy: -49.566
tors. eta vs tors. theta energy: -67.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -1179.410468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.410468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.410468 (E_RNA)
where:
Base-Base interactions energy: -800.058
where: short stacking energy: -330.325
Base-Backbone interact. energy: 1.086
local terms energy: -380.438970
where:
bonds (distance) C4'-P energy: -79.042
bonds (distance) P-C4' energy: -87.005
flat angles C4'-P-C4' energy: -94.970
flat angles P-C4'-P energy: -55.245
tors. eta vs tors. theta energy: -64.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -886.464210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -886.464210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -886.464210 (E_RNA)
where:
Base-Base interactions energy: -572.178
where: short stacking energy: -226.389
Base-Backbone interact. energy: -3.472
local terms energy: -310.814321
where:
bonds (distance) C4'-P energy: -81.963
bonds (distance) P-C4' energy: -78.917
flat angles C4'-P-C4' energy: -80.048
flat angles P-C4'-P energy: -37.729
tors. eta vs tors. theta energy: -32.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -1985.153342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.153342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.153342 (E_RNA)
where:
Base-Base interactions energy: -1433.405
where: short stacking energy: -570.361
Base-Backbone interact. energy: -0.169
local terms energy: -551.579468
where:
bonds (distance) C4'-P energy: -102.180
bonds (distance) P-C4' energy: -112.601
flat angles C4'-P-C4' energy: -108.926
flat angles P-C4'-P energy: -77.466
tors. eta vs tors. theta energy: -150.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -1911.057101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.057101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.057101 (E_RNA)
where:
Base-Base interactions energy: -1363.917
where: short stacking energy: -554.322
Base-Backbone interact. energy: 5.401
local terms energy: -552.541115
where:
bonds (distance) C4'-P energy: -98.724
bonds (distance) P-C4' energy: -104.450
flat angles C4'-P-C4' energy: -115.108
flat angles P-C4'-P energy: -75.975
tors. eta vs tors. theta energy: -158.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -1866.715047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.715047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.715047 (E_RNA)
where:
Base-Base interactions energy: -1316.185
where: short stacking energy: -540.978
Base-Backbone interact. energy: -2.137
local terms energy: -548.392952
where:
bonds (distance) C4'-P energy: -99.792
bonds (distance) P-C4' energy: -102.272
flat angles C4'-P-C4' energy: -115.923
flat angles P-C4'-P energy: -78.493
tors. eta vs tors. theta energy: -151.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -1796.527031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.527031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.527031 (E_RNA)
where:
Base-Base interactions energy: -1283.245
where: short stacking energy: -514.108
Base-Backbone interact. energy: 12.740
local terms energy: -526.021332
where:
bonds (distance) C4'-P energy: -100.904
bonds (distance) P-C4' energy: -91.919
flat angles C4'-P-C4' energy: -116.305
flat angles P-C4'-P energy: -74.850
tors. eta vs tors. theta energy: -142.044
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: 5
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -1693.842579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.842579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.842579 (E_RNA)
where:
Base-Base interactions energy: -1210.255
where: short stacking energy: -491.637
Base-Backbone interact. energy: -2.026
local terms energy: -481.561112
where:
bonds (distance) C4'-P energy: -73.533
bonds (distance) P-C4' energy: -78.839
flat angles C4'-P-C4' energy: -117.233
flat angles P-C4'-P energy: -75.694
tors. eta vs tors. theta energy: -136.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -1626.141329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.141329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.141329 (E_RNA)
where:
Base-Base interactions energy: -1157.292
where: short stacking energy: -480.948
Base-Backbone interact. energy: -2.161
local terms energy: -466.687953
where:
bonds (distance) C4'-P energy: -86.520
bonds (distance) P-C4' energy: -86.898
flat angles C4'-P-C4' energy: -102.951
flat angles P-C4'-P energy: -62.377
tors. eta vs tors. theta energy: -127.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -1375.365719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.365719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.365719 (E_RNA)
where:
Base-Base interactions energy: -939.030
where: short stacking energy: -399.964
Base-Backbone interact. energy: -0.351
local terms energy: -435.983873
where:
bonds (distance) C4'-P energy: -84.901
bonds (distance) P-C4' energy: -86.022
flat angles C4'-P-C4' energy: -96.864
flat angles P-C4'-P energy: -63.434
tors. eta vs tors. theta energy: -104.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -1303.163585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.163585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.163585 (E_RNA)
where:
Base-Base interactions energy: -922.621
where: short stacking energy: -378.313
Base-Backbone interact. energy: -0.663
local terms energy: -379.879762
where:
bonds (distance) C4'-P energy: -77.020
bonds (distance) P-C4' energy: -65.250
flat angles C4'-P-C4' energy: -85.633
flat angles P-C4'-P energy: -68.789
tors. eta vs tors. theta energy: -83.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -1201.251608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.251608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.251608 (E_RNA)
where:
Base-Base interactions energy: -817.851
where: short stacking energy: -333.371
Base-Backbone interact. energy: -0.327
local terms energy: -383.074513
where:
bonds (distance) C4'-P energy: -85.454
bonds (distance) P-C4' energy: -78.100
flat angles C4'-P-C4' energy: -81.207
flat angles P-C4'-P energy: -61.660
tors. eta vs tors. theta energy: -76.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -885.352244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.352244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.352244 (E_RNA)
where:
Base-Base interactions energy: -576.933
where: short stacking energy: -255.322
Base-Backbone interact. energy: -0.688
local terms energy: -307.731116
where:
bonds (distance) C4'-P energy: -57.624
bonds (distance) P-C4' energy: -76.570
flat angles C4'-P-C4' energy: -63.884
flat angles P-C4'-P energy: -67.616
tors. eta vs tors. theta energy: -42.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -1979.215989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.215989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.215989 (E_RNA)
where:
Base-Base interactions energy: -1430.549
where: short stacking energy: -561.110
Base-Backbone interact. energy: -2.725
local terms energy: -545.941474
where:
bonds (distance) C4'-P energy: -97.775
bonds (distance) P-C4' energy: -98.498
flat angles C4'-P-C4' energy: -121.296
flat angles P-C4'-P energy: -78.713
tors. eta vs tors. theta energy: -149.660
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: 2
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -1888.195618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.195618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.195618 (E_RNA)
where:
Base-Base interactions energy: -1342.267
where: short stacking energy: -553.302
Base-Backbone interact. energy: 0.963
local terms energy: -546.892038
where:
bonds (distance) C4'-P energy: -98.245
bonds (distance) P-C4' energy: -99.710
flat angles C4'-P-C4' energy: -114.036
flat angles P-C4'-P energy: -79.234
tors. eta vs tors. theta energy: -155.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -1836.123984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.123984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.123984 (E_RNA)
where:
Base-Base interactions energy: -1306.564
where: short stacking energy: -521.351
Base-Backbone interact. energy: -1.304
local terms energy: -528.256324
where:
bonds (distance) C4'-P energy: -93.888
bonds (distance) P-C4' energy: -105.519
flat angles C4'-P-C4' energy: -107.837
flat angles P-C4'-P energy: -73.903
tors. eta vs tors. theta energy: -147.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -1821.414512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.414512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.414512 (E_RNA)
where:
Base-Base interactions energy: -1302.466
where: short stacking energy: -538.647
Base-Backbone interact. energy: -0.147
local terms energy: -518.801451
where:
bonds (distance) C4'-P energy: -90.445
bonds (distance) P-C4' energy: -99.808
flat angles C4'-P-C4' energy: -106.168
flat angles P-C4'-P energy: -72.819
tors. eta vs tors. theta energy: -149.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -1679.233297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.233297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.233297 (E_RNA)
where:
Base-Base interactions energy: -1179.071
where: short stacking energy: -488.840
Base-Backbone interact. energy: -0.886
local terms energy: -499.275613
where:
bonds (distance) C4'-P energy: -90.745
bonds (distance) P-C4' energy: -89.665
flat angles C4'-P-C4' energy: -107.835
flat angles P-C4'-P energy: -68.552
tors. eta vs tors. theta energy: -142.479
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: 8
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -1603.292623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.292623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.292623 (E_RNA)
where:
Base-Base interactions energy: -1152.218
where: short stacking energy: -464.317
Base-Backbone interact. energy: -0.209
local terms energy: -450.865583
where:
bonds (distance) C4'-P energy: -83.632
bonds (distance) P-C4' energy: -94.256
flat angles C4'-P-C4' energy: -97.912
flat angles P-C4'-P energy: -54.356
tors. eta vs tors. theta energy: -120.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -1411.096116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.096116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.096116 (E_RNA)
where:
Base-Base interactions energy: -987.233
where: short stacking energy: -411.454
Base-Backbone interact. energy: -0.263
local terms energy: -423.599773
where:
bonds (distance) C4'-P energy: -73.914
bonds (distance) P-C4' energy: -87.907
flat angles C4'-P-C4' energy: -97.324
flat angles P-C4'-P energy: -63.392
tors. eta vs tors. theta energy: -101.063
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: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -1352.639036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.639036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.639036 (E_RNA)
where:
Base-Base interactions energy: -942.632
where: short stacking energy: -390.422
Base-Backbone interact. energy: -0.956
local terms energy: -409.051200
where:
bonds (distance) C4'-P energy: -70.029
bonds (distance) P-C4' energy: -92.555
flat angles C4'-P-C4' energy: -90.229
flat angles P-C4'-P energy: -72.585
tors. eta vs tors. theta energy: -83.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -1166.777995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.777995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.777995 (E_RNA)
where:
Base-Base interactions energy: -825.495
where: short stacking energy: -341.117
Base-Backbone interact. energy: -2.446
local terms energy: -338.837810
where:
bonds (distance) C4'-P energy: -67.639
bonds (distance) P-C4' energy: -78.723
flat angles C4'-P-C4' energy: -81.750
flat angles P-C4'-P energy: -51.171
tors. eta vs tors. theta energy: -59.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -970.018232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.018232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.018232 (E_RNA)
where:
Base-Base interactions energy: -615.613
where: short stacking energy: -257.767
Base-Backbone interact. energy: -2.712
local terms energy: -351.693238
where:
bonds (distance) C4'-P energy: -83.591
bonds (distance) P-C4' energy: -78.419
flat angles C4'-P-C4' energy: -95.781
flat angles P-C4'-P energy: -56.660
tors. eta vs tors. theta energy: -37.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -1978.701130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.701130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.701130 (E_RNA)
where:
Base-Base interactions energy: -1435.642
where: short stacking energy: -558.222
Base-Backbone interact. energy: 4.822
local terms energy: -547.882003
where:
bonds (distance) C4'-P energy: -104.778
bonds (distance) P-C4' energy: -107.081
flat angles C4'-P-C4' energy: -111.781
flat angles P-C4'-P energy: -75.013
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: 2, replica: 2
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -1887.482869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.482869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.482869 (E_RNA)
where:
Base-Base interactions energy: -1330.422
where: short stacking energy: -535.303
Base-Backbone interact. energy: -0.222
local terms energy: -556.838369
where:
bonds (distance) C4'-P energy: -88.429
bonds (distance) P-C4' energy: -107.569
flat angles C4'-P-C4' energy: -121.750
flat angles P-C4'-P energy: -83.344
tors. eta vs tors. theta energy: -155.747
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: 3
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -1833.053658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.053658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.053658 (E_RNA)
where:
Base-Base interactions energy: -1290.601
where: short stacking energy: -536.398
Base-Backbone interact. energy: 0.569
local terms energy: -543.021879
where:
bonds (distance) C4'-P energy: -93.392
bonds (distance) P-C4' energy: -99.532
flat angles C4'-P-C4' energy: -120.143
flat angles P-C4'-P energy: -76.900
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: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -1767.265728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.265728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.265728 (E_RNA)
where:
Base-Base interactions energy: -1250.613
where: short stacking energy: -512.861
Base-Backbone interact. energy: -2.353
local terms energy: -514.299802
where:
bonds (distance) C4'-P energy: -90.138
bonds (distance) P-C4' energy: -92.489
flat angles C4'-P-C4' energy: -115.072
flat angles P-C4'-P energy: -79.887
tors. eta vs tors. theta energy: -136.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -1644.944890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.944890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.944890 (E_RNA)
where:
Base-Base interactions energy: -1173.134
where: short stacking energy: -468.868
Base-Backbone interact. energy: 0.031
local terms energy: -471.841568
where:
bonds (distance) C4'-P energy: -76.658
bonds (distance) P-C4' energy: -94.620
flat angles C4'-P-C4' energy: -102.678
flat angles P-C4'-P energy: -73.592
tors. eta vs tors. theta energy: -124.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -1593.637540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.637540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.637540 (E_RNA)
where:
Base-Base interactions energy: -1152.396
where: short stacking energy: -457.667
Base-Backbone interact. energy: -1.601
local terms energy: -439.639701
where:
bonds (distance) C4'-P energy: -71.043
bonds (distance) P-C4' energy: -94.842
flat angles C4'-P-C4' energy: -96.602
flat angles P-C4'-P energy: -64.459
tors. eta vs tors. theta energy: -112.694
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: 32
Temperature: 1.200000
Total energy: -1444.301773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.301773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.301773 (E_RNA)
where:
Base-Base interactions energy: -991.233
where: short stacking energy: -399.803
Base-Backbone interact. energy: 3.137
local terms energy: -456.205872
where:
bonds (distance) C4'-P energy: -101.061
bonds (distance) P-C4' energy: -89.989
flat angles C4'-P-C4' energy: -98.982
flat angles P-C4'-P energy: -65.732
tors. eta vs tors. theta energy: -100.442
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: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -1297.325343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.325343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.325343 (E_RNA)
where:
Base-Base interactions energy: -903.958
where: short stacking energy: -373.152
Base-Backbone interact. energy: -2.055
local terms energy: -391.312163
where:
bonds (distance) C4'-P energy: -84.274
bonds (distance) P-C4' energy: -83.747
flat angles C4'-P-C4' energy: -85.902
flat angles P-C4'-P energy: -59.299
tors. eta vs tors. theta energy: -78.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -1183.942428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.942428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.942428 (E_RNA)
where:
Base-Base interactions energy: -791.663
where: short stacking energy: -345.974
Base-Backbone interact. energy: 0.446
local terms energy: -392.725122
where:
bonds (distance) C4'-P energy: -84.489
bonds (distance) P-C4' energy: -95.684
flat angles C4'-P-C4' energy: -79.765
flat angles P-C4'-P energy: -54.682
tors. eta vs tors. theta energy: -78.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -981.016600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -981.016600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -981.016600 (E_RNA)
where:
Base-Base interactions energy: -645.970
where: short stacking energy: -284.487
Base-Backbone interact. energy: -3.138
local terms energy: -331.909240
where:
bonds (distance) C4'-P energy: -69.131
bonds (distance) P-C4' energy: -83.638
flat angles C4'-P-C4' energy: -82.288
flat angles P-C4'-P energy: -52.504
tors. eta vs tors. theta energy: -44.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -1965.012511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.012511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.012511 (E_RNA)
where:
Base-Base interactions energy: -1411.693
where: short stacking energy: -565.212
Base-Backbone interact. energy: -4.366
local terms energy: -548.953662
where:
bonds (distance) C4'-P energy: -98.768
bonds (distance) P-C4' energy: -105.184
flat angles C4'-P-C4' energy: -116.534
flat angles P-C4'-P energy: -78.276
tors. eta vs tors. theta energy: -150.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -1874.620119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.620119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.620119 (E_RNA)
where:
Base-Base interactions energy: -1341.018
where: short stacking energy: -537.939
Base-Backbone interact. energy: -1.015
local terms energy: -532.587327
where:
bonds (distance) C4'-P energy: -102.051
bonds (distance) P-C4' energy: -107.032
flat angles C4'-P-C4' energy: -121.284
flat angles P-C4'-P energy: -65.443
tors. eta vs tors. theta energy: -136.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -1854.476828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.476828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.476828 (E_RNA)
where:
Base-Base interactions energy: -1334.613
where: short stacking energy: -530.224
Base-Backbone interact. energy: -2.698
local terms energy: -517.165747
where:
bonds (distance) C4'-P energy: -78.652
bonds (distance) P-C4' energy: -104.437
flat angles C4'-P-C4' energy: -113.897
flat angles P-C4'-P energy: -73.590
tors. eta vs tors. theta energy: -146.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -1767.602051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.602051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.602051 (E_RNA)
where:
Base-Base interactions energy: -1248.078
where: short stacking energy: -529.423
Base-Backbone interact. energy: -3.241
local terms energy: -516.282540
where:
bonds (distance) C4'-P energy: -91.268
bonds (distance) P-C4' energy: -84.988
flat angles C4'-P-C4' energy: -106.547
flat angles P-C4'-P energy: -89.361
tors. eta vs tors. theta energy: -144.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -1591.193273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.193273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.193273 (E_RNA)
where:
Base-Base interactions energy: -1121.415
where: short stacking energy: -450.516
Base-Backbone interact. energy: 3.298
local terms energy: -473.076420
where:
bonds (distance) C4'-P energy: -94.795
bonds (distance) P-C4' energy: -77.341
flat angles C4'-P-C4' energy: -103.728
flat angles P-C4'-P energy: -76.363
tors. eta vs tors. theta energy: -120.849
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: 8
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -1596.323242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.323242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.323242 (E_RNA)
where:
Base-Base interactions energy: -1131.407
where: short stacking energy: -455.087
Base-Backbone interact. energy: -2.946
local terms energy: -461.969593
where:
bonds (distance) C4'-P energy: -88.771
bonds (distance) P-C4' energy: -89.657
flat angles C4'-P-C4' energy: -96.580
flat angles P-C4'-P energy: -69.054
tors. eta vs tors. theta energy: -117.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -1425.454751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.454751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.454751 (E_RNA)
where:
Base-Base interactions energy: -997.763
where: short stacking energy: -425.114
Base-Backbone interact. energy: -0.888
local terms energy: -426.803487
where:
bonds (distance) C4'-P energy: -67.662
bonds (distance) P-C4' energy: -96.125
flat angles C4'-P-C4' energy: -96.311
flat angles P-C4'-P energy: -62.926
tors. eta vs tors. theta energy: -103.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -1302.844534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.844534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.844534 (E_RNA)
where:
Base-Base interactions energy: -907.384
where: short stacking energy: -362.234
Base-Backbone interact. energy: -2.767
local terms energy: -392.693031
where:
bonds (distance) C4'-P energy: -80.023
bonds (distance) P-C4' energy: -70.423
flat angles C4'-P-C4' energy: -98.843
flat angles P-C4'-P energy: -60.387
tors. eta vs tors. theta energy: -83.017
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: 9
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -1154.931340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.931340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.931340 (E_RNA)
where:
Base-Base interactions energy: -808.470
where: short stacking energy: -316.594
Base-Backbone interact. energy: 1.106
local terms energy: -347.566954
where:
bonds (distance) C4'-P energy: -79.551
bonds (distance) P-C4' energy: -85.152
flat angles C4'-P-C4' energy: -80.827
flat angles P-C4'-P energy: -40.393
tors. eta vs tors. theta energy: -61.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -1009.052097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1009.052097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1009.052097 (E_RNA)
where:
Base-Base interactions energy: -661.955
where: short stacking energy: -276.304
Base-Backbone interact. energy: 0.514
local terms energy: -347.611601
where:
bonds (distance) C4'-P energy: -70.638
bonds (distance) P-C4' energy: -88.305
flat angles C4'-P-C4' energy: -82.663
flat angles P-C4'-P energy: -55.198
tors. eta vs tors. theta energy: -50.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -1972.173899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.173899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.173899 (E_RNA)
where:
Base-Base interactions energy: -1431.433
where: short stacking energy: -552.534
Base-Backbone interact. energy: -1.746
local terms energy: -538.994472
where:
bonds (distance) C4'-P energy: -103.614
bonds (distance) P-C4' energy: -95.323
flat angles C4'-P-C4' energy: -111.917
flat angles P-C4'-P energy: -74.502
tors. eta vs tors. theta energy: -153.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -1874.179223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.179223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.179223 (E_RNA)
where:
Base-Base interactions energy: -1340.474
where: short stacking energy: -543.771
Base-Backbone interact. energy: -0.973
local terms energy: -532.732881
where:
bonds (distance) C4'-P energy: -104.352
bonds (distance) P-C4' energy: -91.884
flat angles C4'-P-C4' energy: -116.828
flat angles P-C4'-P energy: -83.478
tors. eta vs tors. theta energy: -136.190
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: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -1856.858785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.858785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.858785 (E_RNA)
where:
Base-Base interactions energy: -1333.542
where: short stacking energy: -536.406
Base-Backbone interact. energy: -0.317
local terms energy: -523.000049
where:
bonds (distance) C4'-P energy: -91.123
bonds (distance) P-C4' energy: -97.219
flat angles C4'-P-C4' energy: -115.688
flat angles P-C4'-P energy: -66.765
tors. eta vs tors. theta energy: -152.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -1742.018786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.018786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.018786 (E_RNA)
where:
Base-Base interactions energy: -1228.945
where: short stacking energy: -499.854
Base-Backbone interact. energy: 0.459
local terms energy: -513.532360
where:
bonds (distance) C4'-P energy: -87.913
bonds (distance) P-C4' energy: -89.297
flat angles C4'-P-C4' energy: -111.264
flat angles P-C4'-P energy: -82.599
tors. eta vs tors. theta energy: -142.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -1675.398372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.398372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.398372 (E_RNA)
where:
Base-Base interactions energy: -1187.354
where: short stacking energy: -493.779
Base-Backbone interact. energy: -0.496
local terms energy: -487.548159
where:
bonds (distance) C4'-P energy: -79.606
bonds (distance) P-C4' energy: -88.928
flat angles C4'-P-C4' energy: -118.614
flat angles P-C4'-P energy: -78.011
tors. eta vs tors. theta energy: -122.388
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: 6, replica: 5
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -1586.432010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.432010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.432010 (E_RNA)
where:
Base-Base interactions energy: -1126.134
where: short stacking energy: -458.596
Base-Backbone interact. energy: 3.641
local terms energy: -463.939631
where:
bonds (distance) C4'-P energy: -91.862
bonds (distance) P-C4' energy: -83.718
flat angles C4'-P-C4' energy: -100.709
flat angles P-C4'-P energy: -65.847
tors. eta vs tors. theta energy: -121.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -1416.124684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.124684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.124684 (E_RNA)
where:
Base-Base interactions energy: -1000.931
where: short stacking energy: -409.561
Base-Backbone interact. energy: -0.317
local terms energy: -414.876588
where:
bonds (distance) C4'-P energy: -87.389
bonds (distance) P-C4' energy: -79.390
flat angles C4'-P-C4' energy: -88.763
flat angles P-C4'-P energy: -67.152
tors. eta vs tors. theta energy: -92.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -1306.867326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.867326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.867326 (E_RNA)
where:
Base-Base interactions energy: -915.987
where: short stacking energy: -371.686
Base-Backbone interact. energy: -1.775
local terms energy: -389.104846
where:
bonds (distance) C4'-P energy: -77.803
bonds (distance) P-C4' energy: -84.277
flat angles C4'-P-C4' energy: -87.983
flat angles P-C4'-P energy: -58.953
tors. eta vs tors. theta energy: -80.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -1166.561523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.561523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.561523 (E_RNA)
where:
Base-Base interactions energy: -799.636
where: short stacking energy: -340.293
Base-Backbone interact. energy: 1.329
local terms energy: -368.253927
where:
bonds (distance) C4'-P energy: -68.173
bonds (distance) P-C4' energy: -86.818
flat angles C4'-P-C4' energy: -85.238
flat angles P-C4'-P energy: -63.232
tors. eta vs tors. theta energy: -64.793
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: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -1025.602810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.602810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.602810 (E_RNA)
where:
Base-Base interactions energy: -672.034
where: short stacking energy: -302.674
Base-Backbone interact. energy: 3.510
local terms energy: -357.078471
where:
bonds (distance) C4'-P energy: -72.323
bonds (distance) P-C4' energy: -83.718
flat angles C4'-P-C4' energy: -94.862
flat angles P-C4'-P energy: -45.417
tors. eta vs tors. theta energy: -60.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -1986.661381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.661381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.661381 (E_RNA)
where:
Base-Base interactions energy: -1457.555
where: short stacking energy: -533.882
Base-Backbone interact. energy: 5.646
local terms energy: -534.752370
where:
bonds (distance) C4'-P energy: -105.567
bonds (distance) P-C4' energy: -92.911
flat angles C4'-P-C4' energy: -113.782
flat angles P-C4'-P energy: -75.558
tors. eta vs tors. theta energy: -146.934
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: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -1880.619812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.619812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.619812 (E_RNA)
where:
Base-Base interactions energy: -1336.894
where: short stacking energy: -538.437
Base-Backbone interact. energy: -0.862
local terms energy: -542.863374
where:
bonds (distance) C4'-P energy: -94.355
bonds (distance) P-C4' energy: -100.569
flat angles C4'-P-C4' energy: -114.630
flat angles P-C4'-P energy: -81.320
tors. eta vs tors. theta energy: -151.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -1838.256085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.256085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.256085 (E_RNA)
where:
Base-Base interactions energy: -1306.943
where: short stacking energy: -509.362
Base-Backbone interact. energy: 0.295
local terms energy: -531.608069
where:
bonds (distance) C4'-P energy: -75.130
bonds (distance) P-C4' energy: -113.327
flat angles C4'-P-C4' energy: -121.663
flat angles P-C4'-P energy: -79.153
tors. eta vs tors. theta energy: -142.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -1753.230446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.230446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.230446 (E_RNA)
where:
Base-Base interactions energy: -1255.927
where: short stacking energy: -512.461
Base-Backbone interact. energy: -2.329
local terms energy: -494.974338
where:
bonds (distance) C4'-P energy: -80.956
bonds (distance) P-C4' energy: -92.660
flat angles C4'-P-C4' energy: -108.057
flat angles P-C4'-P energy: -74.786
tors. eta vs tors. theta energy: -138.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -1644.956498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.956498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.956498 (E_RNA)
where:
Base-Base interactions energy: -1145.523
where: short stacking energy: -461.703
Base-Backbone interact. energy: -0.408
local terms energy: -499.026083
where:
bonds (distance) C4'-P energy: -95.127
bonds (distance) P-C4' energy: -91.343
flat angles C4'-P-C4' energy: -105.842
flat angles P-C4'-P energy: -73.923
tors. eta vs tors. theta energy: -132.791
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: 5
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -1572.328120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1572.328120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1572.328120 (E_RNA)
where:
Base-Base interactions energy: -1111.700
where: short stacking energy: -448.671
Base-Backbone interact. energy: 1.503
local terms energy: -462.131475
where:
bonds (distance) C4'-P energy: -84.868
bonds (distance) P-C4' energy: -95.606
flat angles C4'-P-C4' energy: -108.759
flat angles P-C4'-P energy: -50.730
tors. eta vs tors. theta energy: -122.169
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: 35
Temperature: 1.200000
Total energy: -1406.421098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.421098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.421098 (E_RNA)
where:
Base-Base interactions energy: -992.414
where: short stacking energy: -412.298
Base-Backbone interact. energy: -0.439
local terms energy: -413.567296
where:
bonds (distance) C4'-P energy: -67.441
bonds (distance) P-C4' energy: -86.315
flat angles C4'-P-C4' energy: -98.702
flat angles P-C4'-P energy: -61.230
tors. eta vs tors. theta energy: -99.880
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: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -1258.418676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.418676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.418676 (E_RNA)
where:
Base-Base interactions energy: -865.420
where: short stacking energy: -347.983
Base-Backbone interact. energy: -0.252
local terms energy: -392.747630
where:
bonds (distance) C4'-P energy: -88.730
bonds (distance) P-C4' energy: -91.688
flat angles C4'-P-C4' energy: -88.780
flat angles P-C4'-P energy: -55.528
tors. eta vs tors. theta energy: -68.021
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: 6
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -1282.229462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1282.229462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1282.229462 (E_RNA)
where:
Base-Base interactions energy: -878.292
where: short stacking energy: -368.266
Base-Backbone interact. energy: 1.741
local terms energy: -405.678212
where:
bonds (distance) C4'-P energy: -83.866
bonds (distance) P-C4' energy: -79.994
flat angles C4'-P-C4' energy: -97.059
flat angles P-C4'-P energy: -63.000
tors. eta vs tors. theta energy: -81.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -1029.250796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.250796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.250796 (E_RNA)
where:
Base-Base interactions energy: -644.824
where: short stacking energy: -315.836
Base-Backbone interact. energy: -1.194
local terms energy: -383.232329
where:
bonds (distance) C4'-P energy: -77.224
bonds (distance) P-C4' energy: -96.164
flat angles C4'-P-C4' energy: -89.269
flat angles P-C4'-P energy: -61.395
tors. eta vs tors. theta energy: -59.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -1998.387817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1998.387817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1998.387817 (E_RNA)
where:
Base-Base interactions energy: -1458.856
where: short stacking energy: -575.309
Base-Backbone interact. energy: -3.371
local terms energy: -536.160587
where:
bonds (distance) C4'-P energy: -98.822
bonds (distance) P-C4' energy: -105.845
flat angles C4'-P-C4' energy: -108.478
flat angles P-C4'-P energy: -77.637
tors. eta vs tors. theta energy: -145.378
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: 36
Temperature: 0.950000
Total energy: -1871.677464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.677464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.677464 (E_RNA)
where:
Base-Base interactions energy: -1331.766
where: short stacking energy: -549.382
Base-Backbone interact. energy: 0.650
local terms energy: -540.561635
where:
bonds (distance) C4'-P energy: -104.146
bonds (distance) P-C4' energy: -93.776
flat angles C4'-P-C4' energy: -115.975
flat angles P-C4'-P energy: -72.548
tors. eta vs tors. theta energy: -154.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -1842.579983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.579983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.579983 (E_RNA)
where:
Base-Base interactions energy: -1328.840
where: short stacking energy: -526.862
Base-Backbone interact. energy: -1.500
local terms energy: -512.240089
where:
bonds (distance) C4'-P energy: -102.230
bonds (distance) P-C4' energy: -87.400
flat angles C4'-P-C4' energy: -103.280
flat angles P-C4'-P energy: -74.931
tors. eta vs tors. theta energy: -144.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -1765.252767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.252767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.252767 (E_RNA)
where:
Base-Base interactions energy: -1266.706
where: short stacking energy: -502.566
Base-Backbone interact. energy: 1.166
local terms energy: -499.712454
where:
bonds (distance) C4'-P energy: -94.884
bonds (distance) P-C4' energy: -91.015
flat angles C4'-P-C4' energy: -102.255
flat angles P-C4'-P energy: -72.822
tors. eta vs tors. theta energy: -138.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -1672.258166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.258166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.258166 (E_RNA)
where:
Base-Base interactions energy: -1186.996
where: short stacking energy: -496.486
Base-Backbone interact. energy: 1.269
local terms energy: -486.531372
where:
bonds (distance) C4'-P energy: -84.925
bonds (distance) P-C4' energy: -96.928
flat angles C4'-P-C4' energy: -111.250
flat angles P-C4'-P energy: -61.535
tors. eta vs tors. theta energy: -131.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -1561.386739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.386739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.386739 (E_RNA)
where:
Base-Base interactions energy: -1096.054
where: short stacking energy: -467.606
Base-Backbone interact. energy: 3.434
local terms energy: -468.766722
where:
bonds (distance) C4'-P energy: -84.160
bonds (distance) P-C4' energy: -81.959
flat angles C4'-P-C4' energy: -114.041
flat angles P-C4'-P energy: -60.121
tors. eta vs tors. theta energy: -128.487
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: 7
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -1405.536487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.536487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.536487 (E_RNA)
where:
Base-Base interactions energy: -959.567
where: short stacking energy: -408.342
Base-Backbone interact. energy: -2.275
local terms energy: -443.694539
where:
bonds (distance) C4'-P energy: -97.920
bonds (distance) P-C4' energy: -82.957
flat angles C4'-P-C4' energy: -113.342
flat angles P-C4'-P energy: -50.086
tors. eta vs tors. theta energy: -99.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -1223.141004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.141004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.141004 (E_RNA)
where:
Base-Base interactions energy: -820.290
where: short stacking energy: -343.988
Base-Backbone interact. energy: -2.198
local terms energy: -400.652939
where:
bonds (distance) C4'-P energy: -84.849
bonds (distance) P-C4' energy: -84.126
flat angles C4'-P-C4' energy: -86.356
flat angles P-C4'-P energy: -69.517
tors. eta vs tors. theta energy: -75.806
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: 6
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -1255.816783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1255.816783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1255.816783 (E_RNA)
where:
Base-Base interactions energy: -899.423
where: short stacking energy: -373.902
Base-Backbone interact. energy: -0.489
local terms energy: -355.904786
where:
bonds (distance) C4'-P energy: -61.830
bonds (distance) P-C4' energy: -74.774
flat angles C4'-P-C4' energy: -95.215
flat angles P-C4'-P energy: -50.682
tors. eta vs tors. theta energy: -73.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -1002.390708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1002.390708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1002.390708 (E_RNA)
where:
Base-Base interactions energy: -624.565
where: short stacking energy: -251.493
Base-Backbone interact. energy: -1.548
local terms energy: -376.277927
where:
bonds (distance) C4'-P energy: -94.836
bonds (distance) P-C4' energy: -92.912
flat angles C4'-P-C4' energy: -89.991
flat angles P-C4'-P energy: -55.286
tors. eta vs tors. theta energy: -43.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -1995.458617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.458617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.458617 (E_RNA)
where:
Base-Base interactions energy: -1446.039
where: short stacking energy: -574.462
Base-Backbone interact. energy: -1.884
local terms energy: -547.535456
where:
bonds (distance) C4'-P energy: -84.982
bonds (distance) P-C4' energy: -113.185
flat angles C4'-P-C4' energy: -121.465
flat angles P-C4'-P energy: -73.076
tors. eta vs tors. theta energy: -154.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -1890.774182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.774182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.774182 (E_RNA)
where:
Base-Base interactions energy: -1353.175
where: short stacking energy: -533.362
Base-Backbone interact. energy: -1.894
local terms energy: -535.705235
where:
bonds (distance) C4'-P energy: -88.663
bonds (distance) P-C4' energy: -105.653
flat angles C4'-P-C4' energy: -113.372
flat angles P-C4'-P energy: -78.965
tors. eta vs tors. theta energy: -149.052
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: 3
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -1850.849388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.849388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.849388 (E_RNA)
where:
Base-Base interactions energy: -1297.694
where: short stacking energy: -544.029
Base-Backbone interact. energy: -0.390
local terms energy: -552.765892
where:
bonds (distance) C4'-P energy: -111.542
bonds (distance) P-C4' energy: -103.087
flat angles C4'-P-C4' energy: -119.877
flat angles P-C4'-P energy: -69.577
tors. eta vs tors. theta energy: -148.683
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: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -1820.352281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.352281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.352281 (E_RNA)
where:
Base-Base interactions energy: -1286.545
where: short stacking energy: -518.275
Base-Backbone interact. energy: -3.580
local terms energy: -530.227622
where:
bonds (distance) C4'-P energy: -103.024
bonds (distance) P-C4' energy: -111.803
flat angles C4'-P-C4' energy: -112.762
flat angles P-C4'-P energy: -68.130
tors. eta vs tors. theta energy: -134.509
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: 8
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -1672.469040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.469040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.469040 (E_RNA)
where:
Base-Base interactions energy: -1180.280
where: short stacking energy: -478.074
Base-Backbone interact. energy: -3.492
local terms energy: -488.697195
where:
bonds (distance) C4'-P energy: -86.542
bonds (distance) P-C4' energy: -103.871
flat angles C4'-P-C4' energy: -104.073
flat angles P-C4'-P energy: -63.278
tors. eta vs tors. theta energy: -130.932
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: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -1590.037731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.037731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.037731 (E_RNA)
where:
Base-Base interactions energy: -1129.308
where: short stacking energy: -470.870
Base-Backbone interact. energy: -1.958
local terms energy: -458.771698
where:
bonds (distance) C4'-P energy: -78.625
bonds (distance) P-C4' energy: -95.706
flat angles C4'-P-C4' energy: -106.787
flat angles P-C4'-P energy: -65.930
tors. eta vs tors. theta energy: -111.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -1417.635225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.635225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.635225 (E_RNA)
where:
Base-Base interactions energy: -1003.113
where: short stacking energy: -414.110
Base-Backbone interact. energy: -0.994
local terms energy: -413.527896
where:
bonds (distance) C4'-P energy: -73.472
bonds (distance) P-C4' energy: -89.189
flat angles C4'-P-C4' energy: -94.575
flat angles P-C4'-P energy: -68.485
tors. eta vs tors. theta energy: -87.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -1319.553873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.553873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.553873 (E_RNA)
where:
Base-Base interactions energy: -928.350
where: short stacking energy: -391.320
Base-Backbone interact. energy: -0.100
local terms energy: -391.103977
where:
bonds (distance) C4'-P energy: -72.930
bonds (distance) P-C4' energy: -82.228
flat angles C4'-P-C4' energy: -93.885
flat angles P-C4'-P energy: -62.864
tors. eta vs tors. theta energy: -79.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -1180.746544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.746544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.746544 (E_RNA)
where:
Base-Base interactions energy: -783.900
where: short stacking energy: -334.664
Base-Backbone interact. energy: -1.396
local terms energy: -395.450321
where:
bonds (distance) C4'-P energy: -84.622
bonds (distance) P-C4' energy: -81.981
flat angles C4'-P-C4' energy: -106.262
flat angles P-C4'-P energy: -57.597
tors. eta vs tors. theta energy: -64.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -995.491606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.491606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.491606 (E_RNA)
where:
Base-Base interactions energy: -655.140
where: short stacking energy: -268.028
Base-Backbone interact. energy: -0.650
local terms energy: -339.701681
where:
bonds (distance) C4'-P energy: -72.019
bonds (distance) P-C4' energy: -87.298
flat angles C4'-P-C4' energy: -95.582
flat angles P-C4'-P energy: -44.770
tors. eta vs tors. theta energy: -40.034
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: 1
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -1980.353586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.353586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.353586 (E_RNA)
where:
Base-Base interactions energy: -1420.360
where: short stacking energy: -563.821
Base-Backbone interact. energy: 0.565
local terms energy: -560.558183
where:
bonds (distance) C4'-P energy: -105.382
bonds (distance) P-C4' energy: -101.055
flat angles C4'-P-C4' energy: -117.032
flat angles P-C4'-P energy: -73.398
tors. eta vs tors. theta energy: -163.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -1898.536053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.536053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.536053 (E_RNA)
where:
Base-Base interactions energy: -1365.338
where: short stacking energy: -546.483
Base-Backbone interact. energy: -0.800
local terms energy: -532.398040
where:
bonds (distance) C4'-P energy: -82.262
bonds (distance) P-C4' energy: -101.047
flat angles C4'-P-C4' energy: -121.941
flat angles P-C4'-P energy: -74.924
tors. eta vs tors. theta energy: -152.224
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: 38
Temperature: 1.000000
Total energy: -1757.327461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.327461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.327461 (E_RNA)
where:
Base-Base interactions energy: -1247.657
where: short stacking energy: -498.801
Base-Backbone interact. energy: 2.652
local terms energy: -512.322219
where:
bonds (distance) C4'-P energy: -97.104
bonds (distance) P-C4' energy: -106.156
flat angles C4'-P-C4' energy: -105.975
flat angles P-C4'-P energy: -72.167
tors. eta vs tors. theta energy: -130.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -1786.650007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.650007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.650007 (E_RNA)
where:
Base-Base interactions energy: -1278.557
where: short stacking energy: -531.362
Base-Backbone interact. energy: 1.153
local terms energy: -509.246667
where:
bonds (distance) C4'-P energy: -103.571
bonds (distance) P-C4' energy: -90.446
flat angles C4'-P-C4' energy: -111.000
flat angles P-C4'-P energy: -64.039
tors. eta vs tors. theta energy: -140.190
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: 8
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -1679.990335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.990335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.990335 (E_RNA)
where:
Base-Base interactions energy: -1182.700
where: short stacking energy: -505.366
Base-Backbone interact. energy: -0.742
local terms energy: -496.548141
where:
bonds (distance) C4'-P energy: -101.820
bonds (distance) P-C4' energy: -97.353
flat angles C4'-P-C4' energy: -100.438
flat angles P-C4'-P energy: -60.019
tors. eta vs tors. theta energy: -136.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -1549.603444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.603444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.603444 (E_RNA)
where:
Base-Base interactions energy: -1102.337
where: short stacking energy: -440.028
Base-Backbone interact. energy: -1.861
local terms energy: -445.405512
where:
bonds (distance) C4'-P energy: -79.921
bonds (distance) P-C4' energy: -74.777
flat angles C4'-P-C4' energy: -110.689
flat angles P-C4'-P energy: -74.259
tors. eta vs tors. theta energy: -105.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -1451.483749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.483749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.483749 (E_RNA)
where:
Base-Base interactions energy: -1013.422
where: short stacking energy: -427.331
Base-Backbone interact. energy: -3.042
local terms energy: -435.020330
where:
bonds (distance) C4'-P energy: -78.085
bonds (distance) P-C4' energy: -88.395
flat angles C4'-P-C4' energy: -106.097
flat angles P-C4'-P energy: -63.247
tors. eta vs tors. theta energy: -99.197
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: 8, replica: 6
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -1315.296106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.296106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.296106 (E_RNA)
where:
Base-Base interactions energy: -911.944
where: short stacking energy: -374.769
Base-Backbone interact. energy: 1.733
local terms energy: -405.085394
where:
bonds (distance) C4'-P energy: -83.836
bonds (distance) P-C4' energy: -102.618
flat angles C4'-P-C4' energy: -73.909
flat angles P-C4'-P energy: -64.724
tors. eta vs tors. theta energy: -79.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -1208.276968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.276968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.276968 (E_RNA)
where:
Base-Base interactions energy: -820.262
where: short stacking energy: -335.247
Base-Backbone interact. energy: 4.129
local terms energy: -392.143567
where:
bonds (distance) C4'-P energy: -66.472
bonds (distance) P-C4' energy: -87.449
flat angles C4'-P-C4' energy: -101.655
flat angles P-C4'-P energy: -63.290
tors. eta vs tors. theta energy: -73.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -1012.163271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.163271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.163271 (E_RNA)
where:
Base-Base interactions energy: -647.252
where: short stacking energy: -291.467
Base-Backbone interact. energy: -1.405
local terms energy: -363.506146
where:
bonds (distance) C4'-P energy: -67.800
bonds (distance) P-C4' energy: -91.157
flat angles C4'-P-C4' energy: -92.290
flat angles P-C4'-P energy: -44.259
tors. eta vs tors. theta energy: -68.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -1972.703067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.703067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.703067 (E_RNA)
where:
Base-Base interactions energy: -1427.797
where: short stacking energy: -575.904
Base-Backbone interact. energy: -2.345
local terms energy: -542.561850
where:
bonds (distance) C4'-P energy: -100.914
bonds (distance) P-C4' energy: -87.315
flat angles C4'-P-C4' energy: -114.553
flat angles P-C4'-P energy: -84.264
tors. eta vs tors. theta energy: -155.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -1881.995726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.995726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.995726 (E_RNA)
where:
Base-Base interactions energy: -1337.931
where: short stacking energy: -529.052
Base-Backbone interact. energy: 2.216
local terms energy: -546.280743
where:
bonds (distance) C4'-P energy: -98.680
bonds (distance) P-C4' energy: -106.331
flat angles C4'-P-C4' energy: -117.667
flat angles P-C4'-P energy: -83.146
tors. eta vs tors. theta energy: -140.457
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: 4
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -1804.406099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.406099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.406099 (E_RNA)
where:
Base-Base interactions energy: -1287.129
where: short stacking energy: -522.091
Base-Backbone interact. energy: -4.155
local terms energy: -513.121804
where:
bonds (distance) C4'-P energy: -86.281
bonds (distance) P-C4' energy: -101.925
flat angles C4'-P-C4' energy: -100.805
flat angles P-C4'-P energy: -81.222
tors. eta vs tors. theta energy: -142.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -1729.227544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.227544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.227544 (E_RNA)
where:
Base-Base interactions energy: -1237.462
where: short stacking energy: -495.038
Base-Backbone interact. energy: 0.553
local terms energy: -492.318971
where:
bonds (distance) C4'-P energy: -74.588
bonds (distance) P-C4' energy: -103.260
flat angles C4'-P-C4' energy: -110.191
flat angles P-C4'-P energy: -70.512
tors. eta vs tors. theta energy: -133.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -1667.348440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.348440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.348440 (E_RNA)
where:
Base-Base interactions energy: -1207.989
where: short stacking energy: -492.733
Base-Backbone interact. energy: 3.100
local terms energy: -462.459773
where:
bonds (distance) C4'-P energy: -90.388
bonds (distance) P-C4' energy: -77.106
flat angles C4'-P-C4' energy: -107.846
flat angles P-C4'-P energy: -68.317
tors. eta vs tors. theta energy: -118.804
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: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -1617.559709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.559709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.559709 (E_RNA)
where:
Base-Base interactions energy: -1120.872
where: short stacking energy: -468.691
Base-Backbone interact. energy: -1.409
local terms energy: -495.278727
where:
bonds (distance) C4'-P energy: -94.299
bonds (distance) P-C4' energy: -91.765
flat angles C4'-P-C4' energy: -115.412
flat angles P-C4'-P energy: -71.454
tors. eta vs tors. theta energy: -122.349
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: 7
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -1410.548627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.548627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.548627 (E_RNA)
where:
Base-Base interactions energy: -995.148
where: short stacking energy: -423.340
Base-Backbone interact. energy: 1.584
local terms energy: -416.984546
where:
bonds (distance) C4'-P energy: -80.633
bonds (distance) P-C4' energy: -82.668
flat angles C4'-P-C4' energy: -90.646
flat angles P-C4'-P energy: -63.390
tors. eta vs tors. theta energy: -99.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -1338.188713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.188713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.188713 (E_RNA)
where:
Base-Base interactions energy: -932.506
where: short stacking energy: -361.230
Base-Backbone interact. energy: -1.258
local terms energy: -404.424342
where:
bonds (distance) C4'-P energy: -77.817
bonds (distance) P-C4' energy: -91.831
flat angles C4'-P-C4' energy: -95.293
flat angles P-C4'-P energy: -61.516
tors. eta vs tors. theta energy: -77.968
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: 9
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -1185.674596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.674596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.674596 (E_RNA)
where:
Base-Base interactions energy: -796.704
where: short stacking energy: -346.509
Base-Backbone interact. energy: -2.539
local terms energy: -386.431448
where:
bonds (distance) C4'-P energy: -96.449
bonds (distance) P-C4' energy: -57.690
flat angles C4'-P-C4' energy: -94.614
flat angles P-C4'-P energy: -60.918
tors. eta vs tors. theta energy: -76.760
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: 10
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -980.247315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.247315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.247315 (E_RNA)
where:
Base-Base interactions energy: -640.015
where: short stacking energy: -289.498
Base-Backbone interact. energy: -0.815
local terms energy: -339.417229
where:
bonds (distance) C4'-P energy: -77.968
bonds (distance) P-C4' energy: -91.908
flat angles C4'-P-C4' energy: -75.371
flat angles P-C4'-P energy: -44.928
tors. eta vs tors. theta energy: -49.242
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: 1
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -1970.669191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.669191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.669191 (E_RNA)
where:
Base-Base interactions energy: -1383.717
where: short stacking energy: -551.410
Base-Backbone interact. energy: -1.758
local terms energy: -585.193817
where:
bonds (distance) C4'-P energy: -110.996
bonds (distance) P-C4' energy: -112.516
flat angles C4'-P-C4' energy: -122.192
flat angles P-C4'-P energy: -82.269
tors. eta vs tors. theta energy: -157.222
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: 2, replica: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -1851.033020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.033020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.033020 (E_RNA)
where:
Base-Base interactions energy: -1309.989
where: short stacking energy: -524.827
Base-Backbone interact. energy: -1.144
local terms energy: -539.900563
where:
bonds (distance) C4'-P energy: -88.996
bonds (distance) P-C4' energy: -108.600
flat angles C4'-P-C4' energy: -119.405
flat angles P-C4'-P energy: -76.392
tors. eta vs tors. theta energy: -146.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -1790.124890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.124890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.124890 (E_RNA)
where:
Base-Base interactions energy: -1280.413
where: short stacking energy: -508.381
Base-Backbone interact. energy: -2.298
local terms energy: -507.412959
where:
bonds (distance) C4'-P energy: -92.159
bonds (distance) P-C4' energy: -88.758
flat angles C4'-P-C4' energy: -106.017
flat angles P-C4'-P energy: -77.832
tors. eta vs tors. theta energy: -142.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -1753.116673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.116673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.116673 (E_RNA)
where:
Base-Base interactions energy: -1248.921
where: short stacking energy: -500.138
Base-Backbone interact. energy: -2.219
local terms energy: -501.976249
where:
bonds (distance) C4'-P energy: -99.642
bonds (distance) P-C4' energy: -100.623
flat angles C4'-P-C4' energy: -102.732
flat angles P-C4'-P energy: -69.431
tors. eta vs tors. theta energy: -129.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -1674.615556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.615556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.615556 (E_RNA)
where:
Base-Base interactions energy: -1182.184
where: short stacking energy: -495.941
Base-Backbone interact. energy: -2.845
local terms energy: -489.586670
where:
bonds (distance) C4'-P energy: -97.296
bonds (distance) P-C4' energy: -91.052
flat angles C4'-P-C4' energy: -101.085
flat angles P-C4'-P energy: -77.246
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: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -1593.336090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.336090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.336090 (E_RNA)
where:
Base-Base interactions energy: -1167.411
where: short stacking energy: -475.137
Base-Backbone interact. energy: 0.412
local terms energy: -426.337574
where:
bonds (distance) C4'-P energy: -75.226
bonds (distance) P-C4' energy: -64.228
flat angles C4'-P-C4' energy: -98.413
flat angles P-C4'-P energy: -64.761
tors. eta vs tors. theta energy: -123.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -1398.380553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.380553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.380553 (E_RNA)
where:
Base-Base interactions energy: -976.591
where: short stacking energy: -402.401
Base-Backbone interact. energy: -1.404
local terms energy: -420.385195
where:
bonds (distance) C4'-P energy: -98.591
bonds (distance) P-C4' energy: -70.893
flat angles C4'-P-C4' energy: -93.808
flat angles P-C4'-P energy: -56.571
tors. eta vs tors. theta energy: -100.522
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: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -1301.862631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.862631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.862631 (E_RNA)
where:
Base-Base interactions energy: -890.538
where: short stacking energy: -367.287
Base-Backbone interact. energy: 1.079
local terms energy: -412.402946
where:
bonds (distance) C4'-P energy: -76.254
bonds (distance) P-C4' energy: -84.148
flat angles C4'-P-C4' energy: -103.420
flat angles P-C4'-P energy: -68.402
tors. eta vs tors. theta energy: -80.179
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: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -1149.029018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.029018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.029018 (E_RNA)
where:
Base-Base interactions energy: -793.486
where: short stacking energy: -320.492
Base-Backbone interact. energy: 1.800
local terms energy: -357.342427
where:
bonds (distance) C4'-P energy: -71.510
bonds (distance) P-C4' energy: -79.356
flat angles C4'-P-C4' energy: -78.951
flat angles P-C4'-P energy: -57.042
tors. eta vs tors. theta energy: -70.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -1017.171607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1017.171607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1017.171607 (E_RNA)
where:
Base-Base interactions energy: -675.564
where: short stacking energy: -299.598
Base-Backbone interact. energy: -2.572
local terms energy: -339.035323
where:
bonds (distance) C4'-P energy: -65.688
bonds (distance) P-C4' energy: -97.824
flat angles C4'-P-C4' energy: -77.091
flat angles P-C4'-P energy: -42.108
tors. eta vs tors. theta energy: -56.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -1958.852906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.852906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.852906 (E_RNA)
where:
Base-Base interactions energy: -1393.867
where: short stacking energy: -548.436
Base-Backbone interact. energy: -1.200
local terms energy: -563.785634
where:
bonds (distance) C4'-P energy: -108.804
bonds (distance) P-C4' energy: -105.172
flat angles C4'-P-C4' energy: -122.418
flat angles P-C4'-P energy: -74.970
tors. eta vs tors. theta energy: -152.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -1867.572231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.572231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.572231 (E_RNA)
where:
Base-Base interactions energy: -1346.308
where: short stacking energy: -523.283
Base-Backbone interact. energy: 0.041
local terms energy: -521.305198
where:
bonds (distance) C4'-P energy: -96.993
bonds (distance) P-C4' energy: -97.064
flat angles C4'-P-C4' energy: -113.489
flat angles P-C4'-P energy: -76.136
tors. eta vs tors. theta energy: -137.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -1811.607053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.607053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.607053 (E_RNA)
where:
Base-Base interactions energy: -1293.883
where: short stacking energy: -509.133
Base-Backbone interact. energy: -4.255
local terms energy: -513.468383
where:
bonds (distance) C4'-P energy: -88.400
bonds (distance) P-C4' energy: -102.770
flat angles C4'-P-C4' energy: -115.710
flat angles P-C4'-P energy: -78.636
tors. eta vs tors. theta energy: -127.952
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: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -1737.363056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.363056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.363056 (E_RNA)
where:
Base-Base interactions energy: -1237.328
where: short stacking energy: -495.144
Base-Backbone interact. energy: -1.712
local terms energy: -498.323183
where:
bonds (distance) C4'-P energy: -104.270
bonds (distance) P-C4' energy: -95.466
flat angles C4'-P-C4' energy: -100.997
flat angles P-C4'-P energy: -71.733
tors. eta vs tors. theta energy: -125.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -1679.199185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.199185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.199185 (E_RNA)
where:
Base-Base interactions energy: -1191.861
where: short stacking energy: -476.540
Base-Backbone interact. energy: -0.822
local terms energy: -486.516292
where:
bonds (distance) C4'-P energy: -90.784
bonds (distance) P-C4' energy: -90.741
flat angles C4'-P-C4' energy: -109.795
flat angles P-C4'-P energy: -70.616
tors. eta vs tors. theta energy: -124.580
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: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -1603.353016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.353016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.353016 (E_RNA)
where:
Base-Base interactions energy: -1144.782
where: short stacking energy: -465.653
Base-Backbone interact. energy: -3.111
local terms energy: -455.460319
where:
bonds (distance) C4'-P energy: -66.203
bonds (distance) P-C4' energy: -78.566
flat angles C4'-P-C4' energy: -117.048
flat angles P-C4'-P energy: -70.942
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: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -1396.707568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.707568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.707568 (E_RNA)
where:
Base-Base interactions energy: -946.049
where: short stacking energy: -400.766
Base-Backbone interact. energy: -0.151
local terms energy: -450.507765
where:
bonds (distance) C4'-P energy: -85.197
bonds (distance) P-C4' energy: -106.295
flat angles C4'-P-C4' energy: -99.844
flat angles P-C4'-P energy: -55.939
tors. eta vs tors. theta energy: -103.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -1259.942467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.942467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.942467 (E_RNA)
where:
Base-Base interactions energy: -880.758
where: short stacking energy: -374.639
Base-Backbone interact. energy: 2.012
local terms energy: -381.196854
where:
bonds (distance) C4'-P energy: -86.907
bonds (distance) P-C4' energy: -91.044
flat angles C4'-P-C4' energy: -90.400
flat angles P-C4'-P energy: -48.766
tors. eta vs tors. theta energy: -64.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -1259.072764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.072764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.072764 (E_RNA)
where:
Base-Base interactions energy: -868.815
where: short stacking energy: -357.933
Base-Backbone interact. energy: 0.007
local terms energy: -390.265064
where:
bonds (distance) C4'-P energy: -72.083
bonds (distance) P-C4' energy: -90.599
flat angles C4'-P-C4' energy: -96.783
flat angles P-C4'-P energy: -44.092
tors. eta vs tors. theta energy: -86.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -986.787082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.787082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.787082 (E_RNA)
where:
Base-Base interactions energy: -643.863
where: short stacking energy: -289.537
Base-Backbone interact. energy: 1.528
local terms energy: -344.452306
where:
bonds (distance) C4'-P energy: -78.803
bonds (distance) P-C4' energy: -83.838
flat angles C4'-P-C4' energy: -80.164
flat angles P-C4'-P energy: -50.795
tors. eta vs tors. theta energy: -50.852
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: 1
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -1946.386754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.386754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.386754 (E_RNA)
where:
Base-Base interactions energy: -1409.808
where: short stacking energy: -571.626
Base-Backbone interact. energy: -2.280
local terms energy: -534.298556
where:
bonds (distance) C4'-P energy: -95.092
bonds (distance) P-C4' energy: -96.538
flat angles C4'-P-C4' energy: -116.038
flat angles P-C4'-P energy: -67.887
tors. eta vs tors. theta energy: -158.743
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: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -1875.456612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.456612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.456612 (E_RNA)
where:
Base-Base interactions energy: -1350.772
where: short stacking energy: -528.884
Base-Backbone interact. energy: -3.011
local terms energy: -521.673713
where:
bonds (distance) C4'-P energy: -93.247
bonds (distance) P-C4' energy: -94.397
flat angles C4'-P-C4' energy: -111.646
flat angles P-C4'-P energy: -82.508
tors. eta vs tors. theta energy: -139.876
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: 42
Temperature: 1.000000
Total energy: -1822.883846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.883846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.883846 (E_RNA)
where:
Base-Base interactions energy: -1287.092
where: short stacking energy: -533.006
Base-Backbone interact. energy: 2.170
local terms energy: -537.962362
where:
bonds (distance) C4'-P energy: -106.340
bonds (distance) P-C4' energy: -99.046
flat angles C4'-P-C4' energy: -107.632
flat angles P-C4'-P energy: -75.879
tors. eta vs tors. theta energy: -149.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -1721.244487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.244487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.244487 (E_RNA)
where:
Base-Base interactions energy: -1210.786
where: short stacking energy: -499.060
Base-Backbone interact. energy: 0.143
local terms energy: -510.601358
where:
bonds (distance) C4'-P energy: -94.138
bonds (distance) P-C4' energy: -102.114
flat angles C4'-P-C4' energy: -110.328
flat angles P-C4'-P energy: -72.183
tors. eta vs tors. theta energy: -131.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -1675.211356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.211356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.211356 (E_RNA)
where:
Base-Base interactions energy: -1162.442
where: short stacking energy: -493.452
Base-Backbone interact. energy: 1.129
local terms energy: -513.898764
where:
bonds (distance) C4'-P energy: -94.227
bonds (distance) P-C4' energy: -88.989
flat angles C4'-P-C4' energy: -104.159
flat angles P-C4'-P energy: -80.293
tors. eta vs tors. theta energy: -146.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -1569.200196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.200196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.200196 (E_RNA)
where:
Base-Base interactions energy: -1109.186
where: short stacking energy: -464.413
Base-Backbone interact. energy: 0.627
local terms energy: -460.641509
where:
bonds (distance) C4'-P energy: -97.329
bonds (distance) P-C4' energy: -78.826
flat angles C4'-P-C4' energy: -96.445
flat angles P-C4'-P energy: -69.820
tors. eta vs tors. theta energy: -118.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -1381.951116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.951116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.951116 (E_RNA)
where:
Base-Base interactions energy: -956.467
where: short stacking energy: -415.574
Base-Backbone interact. energy: 2.506
local terms energy: -427.989990
where:
bonds (distance) C4'-P energy: -70.347
bonds (distance) P-C4' energy: -85.220
flat angles C4'-P-C4' energy: -92.344
flat angles P-C4'-P energy: -78.394
tors. eta vs tors. theta energy: -101.686
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: 8, replica: 9
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -1268.414566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.414566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.414566 (E_RNA)
where:
Base-Base interactions energy: -886.200
where: short stacking energy: -373.015
Base-Backbone interact. energy: -0.272
local terms energy: -381.942604
where:
bonds (distance) C4'-P energy: -91.036
bonds (distance) P-C4' energy: -83.772
flat angles C4'-P-C4' energy: -87.868
flat angles P-C4'-P energy: -43.265
tors. eta vs tors. theta energy: -76.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -1226.053404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.053404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.053404 (E_RNA)
where:
Base-Base interactions energy: -859.400
where: short stacking energy: -363.737
Base-Backbone interact. energy: -2.283
local terms energy: -364.370031
where:
bonds (distance) C4'-P energy: -85.226
bonds (distance) P-C4' energy: -77.341
flat angles C4'-P-C4' energy: -77.381
flat angles P-C4'-P energy: -56.722
tors. eta vs tors. theta energy: -67.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -952.705089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -952.705089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -952.705089 (E_RNA)
where:
Base-Base interactions energy: -627.502
where: short stacking energy: -295.857
Base-Backbone interact. energy: -1.585
local terms energy: -323.618334
where:
bonds (distance) C4'-P energy: -82.292
bonds (distance) P-C4' energy: -66.336
flat angles C4'-P-C4' energy: -69.540
flat angles P-C4'-P energy: -52.469
tors. eta vs tors. theta energy: -52.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -1954.148020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.148020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.148020 (E_RNA)
where:
Base-Base interactions energy: -1397.719
where: short stacking energy: -563.610
Base-Backbone interact. energy: -3.614
local terms energy: -552.814588
where:
bonds (distance) C4'-P energy: -98.720
bonds (distance) P-C4' energy: -109.751
flat angles C4'-P-C4' energy: -121.022
flat angles P-C4'-P energy: -71.624
tors. eta vs tors. theta energy: -151.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -1905.696334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.696334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.696334 (E_RNA)
where:
Base-Base interactions energy: -1356.038
where: short stacking energy: -528.031
Base-Backbone interact. energy: 3.582
local terms energy: -553.240808
where:
bonds (distance) C4'-P energy: -98.558
bonds (distance) P-C4' energy: -108.356
flat angles C4'-P-C4' energy: -116.336
flat angles P-C4'-P energy: -78.459
tors. eta vs tors. theta energy: -151.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -1820.702361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.702361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.702361 (E_RNA)
where:
Base-Base interactions energy: -1282.500
where: short stacking energy: -527.746
Base-Backbone interact. energy: -4.505
local terms energy: -533.697519
where:
bonds (distance) C4'-P energy: -98.726
bonds (distance) P-C4' energy: -87.297
flat angles C4'-P-C4' energy: -112.772
flat angles P-C4'-P energy: -86.433
tors. eta vs tors. theta energy: -148.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -1676.410935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.410935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.410935 (E_RNA)
where:
Base-Base interactions energy: -1183.532
where: short stacking energy: -472.919
Base-Backbone interact. energy: -2.019
local terms energy: -490.859923
where:
bonds (distance) C4'-P energy: -95.686
bonds (distance) P-C4' energy: -101.372
flat angles C4'-P-C4' energy: -99.953
flat angles P-C4'-P energy: -64.027
tors. eta vs tors. theta energy: -129.823
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: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -1650.593631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.593631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.593631 (E_RNA)
where:
Base-Base interactions energy: -1176.924
where: short stacking energy: -480.513
Base-Backbone interact. energy: -2.007
local terms energy: -471.662214
where:
bonds (distance) C4'-P energy: -72.595
bonds (distance) P-C4' energy: -94.682
flat angles C4'-P-C4' energy: -116.522
flat angles P-C4'-P energy: -73.973
tors. eta vs tors. theta energy: -113.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -1578.946427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.946427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.946427 (E_RNA)
where:
Base-Base interactions energy: -1081.159
where: short stacking energy: -445.440
Base-Backbone interact. energy: -3.079
local terms energy: -494.709022
where:
bonds (distance) C4'-P energy: -88.409
bonds (distance) P-C4' energy: -104.544
flat angles C4'-P-C4' energy: -106.903
flat angles P-C4'-P energy: -69.756
tors. eta vs tors. theta energy: -125.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -1368.235436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.235436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.235436 (E_RNA)
where:
Base-Base interactions energy: -946.131
where: short stacking energy: -398.666
Base-Backbone interact. energy: -1.603
local terms energy: -420.501512
where:
bonds (distance) C4'-P energy: -85.876
bonds (distance) P-C4' energy: -83.051
flat angles C4'-P-C4' energy: -96.151
flat angles P-C4'-P energy: -58.785
tors. eta vs tors. theta energy: -96.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -1244.943143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.943143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.943143 (E_RNA)
where:
Base-Base interactions energy: -866.691
where: short stacking energy: -353.427
Base-Backbone interact. energy: 0.663
local terms energy: -378.915432
where:
bonds (distance) C4'-P energy: -83.989
bonds (distance) P-C4' energy: -86.999
flat angles C4'-P-C4' energy: -79.430
flat angles P-C4'-P energy: -58.513
tors. eta vs tors. theta energy: -69.985
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: 6
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -1182.978392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.978392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.978392 (E_RNA)
where:
Base-Base interactions energy: -824.885
where: short stacking energy: -347.770
Base-Backbone interact. energy: -3.123
local terms energy: -354.970519
where:
bonds (distance) C4'-P energy: -73.413
bonds (distance) P-C4' energy: -97.894
flat angles C4'-P-C4' energy: -92.856
flat angles P-C4'-P energy: -34.758
tors. eta vs tors. theta energy: -56.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -989.423063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.423063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.423063 (E_RNA)
where:
Base-Base interactions energy: -633.250
where: short stacking energy: -263.403
Base-Backbone interact. energy: -3.684
local terms energy: -352.488993
where:
bonds (distance) C4'-P energy: -79.860
bonds (distance) P-C4' energy: -105.835
flat angles C4'-P-C4' energy: -75.597
flat angles P-C4'-P energy: -40.464
tors. eta vs tors. theta energy: -50.733
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: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -1933.386570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.386570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.386570 (E_RNA)
where:
Base-Base interactions energy: -1375.645
where: short stacking energy: -559.258
Base-Backbone interact. energy: 4.281
local terms energy: -562.022181
where:
bonds (distance) C4'-P energy: -106.629
bonds (distance) P-C4' energy: -112.148
flat angles C4'-P-C4' energy: -116.987
flat angles P-C4'-P energy: -72.152
tors. eta vs tors. theta energy: -154.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -1900.818980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.818980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.818980 (E_RNA)
where:
Base-Base interactions energy: -1352.943
where: short stacking energy: -531.276
Base-Backbone interact. energy: -4.846
local terms energy: -543.030876
where:
bonds (distance) C4'-P energy: -95.963
bonds (distance) P-C4' energy: -96.741
flat angles C4'-P-C4' energy: -123.429
flat angles P-C4'-P energy: -72.538
tors. eta vs tors. theta energy: -154.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -1800.548829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.548829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.548829 (E_RNA)
where:
Base-Base interactions energy: -1262.029
where: short stacking energy: -503.951
Base-Backbone interact. energy: -5.626
local terms energy: -532.894315
where:
bonds (distance) C4'-P energy: -102.848
bonds (distance) P-C4' energy: -94.686
flat angles C4'-P-C4' energy: -119.259
flat angles P-C4'-P energy: -79.955
tors. eta vs tors. theta energy: -136.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -1746.268923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.268923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.268923 (E_RNA)
where:
Base-Base interactions energy: -1215.268
where: short stacking energy: -484.119
Base-Backbone interact. energy: -2.289
local terms energy: -528.711580
where:
bonds (distance) C4'-P energy: -96.181
bonds (distance) P-C4' energy: -107.138
flat angles C4'-P-C4' energy: -112.302
flat angles P-C4'-P energy: -76.727
tors. eta vs tors. theta energy: -136.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -1615.442482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.442482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.442482 (E_RNA)
where:
Base-Base interactions energy: -1146.590
where: short stacking energy: -473.705
Base-Backbone interact. energy: -1.421
local terms energy: -467.431708
where:
bonds (distance) C4'-P energy: -90.804
bonds (distance) P-C4' energy: -90.387
flat angles C4'-P-C4' energy: -104.631
flat angles P-C4'-P energy: -66.583
tors. eta vs tors. theta energy: -115.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -1619.632526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.632526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.632526 (E_RNA)
where:
Base-Base interactions energy: -1150.723
where: short stacking energy: -471.793
Base-Backbone interact. energy: -0.340
local terms energy: -468.569744
where:
bonds (distance) C4'-P energy: -102.526
bonds (distance) P-C4' energy: -76.216
flat angles C4'-P-C4' energy: -99.899
flat angles P-C4'-P energy: -74.167
tors. eta vs tors. theta energy: -115.762
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: 44
Temperature: 1.200000
Total energy: -1343.381354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.381354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.381354 (E_RNA)
where:
Base-Base interactions energy: -937.549
where: short stacking energy: -397.675
Base-Backbone interact. energy: -1.805
local terms energy: -404.027703
where:
bonds (distance) C4'-P energy: -82.996
bonds (distance) P-C4' energy: -75.370
flat angles C4'-P-C4' energy: -99.007
flat angles P-C4'-P energy: -64.035
tors. eta vs tors. theta energy: -82.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -1294.746408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.746408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.746408 (E_RNA)
where:
Base-Base interactions energy: -879.404
where: short stacking energy: -370.176
Base-Backbone interact. energy: -0.420
local terms energy: -414.922253
where:
bonds (distance) C4'-P energy: -87.249
bonds (distance) P-C4' energy: -86.931
flat angles C4'-P-C4' energy: -97.535
flat angles P-C4'-P energy: -63.873
tors. eta vs tors. theta energy: -79.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -1157.661471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1157.661471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1157.661471 (E_RNA)
where:
Base-Base interactions energy: -795.473
where: short stacking energy: -315.718
Base-Backbone interact. energy: 1.120
local terms energy: -363.308752
where:
bonds (distance) C4'-P energy: -78.875
bonds (distance) P-C4' energy: -81.036
flat angles C4'-P-C4' energy: -97.958
flat angles P-C4'-P energy: -52.604
tors. eta vs tors. theta energy: -52.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -993.746933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.746933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.746933 (E_RNA)
where:
Base-Base interactions energy: -663.637
where: short stacking energy: -286.228
Base-Backbone interact. energy: -1.856
local terms energy: -328.253517
where:
bonds (distance) C4'-P energy: -79.632
bonds (distance) P-C4' energy: -79.025
flat angles C4'-P-C4' energy: -72.853
flat angles P-C4'-P energy: -48.147
tors. eta vs tors. theta energy: -48.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -1952.574031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.574031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.574031 (E_RNA)
where:
Base-Base interactions energy: -1420.567
where: short stacking energy: -568.651
Base-Backbone interact. energy: -3.319
local terms energy: -528.689008
where:
bonds (distance) C4'-P energy: -88.292
bonds (distance) P-C4' energy: -99.629
flat angles C4'-P-C4' energy: -107.820
flat angles P-C4'-P energy: -86.779
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: 2, replica: 2
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -1845.751019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.751019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.751019 (E_RNA)
where:
Base-Base interactions energy: -1333.279
where: short stacking energy: -520.716
Base-Backbone interact. energy: -1.141
local terms energy: -511.331643
where:
bonds (distance) C4'-P energy: -96.287
bonds (distance) P-C4' energy: -98.622
flat angles C4'-P-C4' energy: -107.283
flat angles P-C4'-P energy: -69.672
tors. eta vs tors. theta energy: -139.467
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: 45
Temperature: 1.000000
Total energy: -1758.843952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.843952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.843952 (E_RNA)
where:
Base-Base interactions energy: -1251.758
where: short stacking energy: -508.622
Base-Backbone interact. energy: -3.180
local terms energy: -503.906198
where:
bonds (distance) C4'-P energy: -97.469
bonds (distance) P-C4' energy: -96.854
flat angles C4'-P-C4' energy: -114.792
flat angles P-C4'-P energy: -56.595
tors. eta vs tors. theta energy: -138.197
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: 8
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -1705.783273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.783273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.783273 (E_RNA)
where:
Base-Base interactions energy: -1214.938
where: short stacking energy: -481.704
Base-Backbone interact. energy: -1.611
local terms energy: -489.233846
where:
bonds (distance) C4'-P energy: -90.233
bonds (distance) P-C4' energy: -102.104
flat angles C4'-P-C4' energy: -97.725
flat angles P-C4'-P energy: -72.597
tors. eta vs tors. theta energy: -126.575
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: 45
Temperature: 1.100000
Total energy: -1592.617651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.617651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.617651 (E_RNA)
where:
Base-Base interactions energy: -1123.900
where: short stacking energy: -450.455
Base-Backbone interact. energy: 0.098
local terms energy: -468.816001
where:
bonds (distance) C4'-P energy: -77.864
bonds (distance) P-C4' energy: -100.358
flat angles C4'-P-C4' energy: -110.573
flat angles P-C4'-P energy: -63.368
tors. eta vs tors. theta energy: -116.653
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: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -1618.365220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.365220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.365220 (E_RNA)
where:
Base-Base interactions energy: -1134.785
where: short stacking energy: -466.354
Base-Backbone interact. energy: 3.997
local terms energy: -487.577158
where:
bonds (distance) C4'-P energy: -98.406
bonds (distance) P-C4' energy: -100.435
flat angles C4'-P-C4' energy: -106.585
flat angles P-C4'-P energy: -61.106
tors. eta vs tors. theta energy: -121.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -1347.541992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.541992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.541992 (E_RNA)
where:
Base-Base interactions energy: -922.616
where: short stacking energy: -370.660
Base-Backbone interact. energy: -4.999
local terms energy: -419.926809
where:
bonds (distance) C4'-P energy: -84.324
bonds (distance) P-C4' energy: -96.475
flat angles C4'-P-C4' energy: -97.563
flat angles P-C4'-P energy: -61.877
tors. eta vs tors. theta energy: -79.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -1304.594674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.594674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.594674 (E_RNA)
where:
Base-Base interactions energy: -940.429
where: short stacking energy: -407.055
Base-Backbone interact. energy: 3.459
local terms energy: -367.623915
where:
bonds (distance) C4'-P energy: -90.304
bonds (distance) P-C4' energy: -60.522
flat angles C4'-P-C4' energy: -80.822
flat angles P-C4'-P energy: -56.468
tors. eta vs tors. theta energy: -79.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -1240.395562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.395562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.395562 (E_RNA)
where:
Base-Base interactions energy: -868.365
where: short stacking energy: -344.232
Base-Backbone interact. energy: 11.218
local terms energy: -383.247977
where:
bonds (distance) C4'-P energy: -73.129
bonds (distance) P-C4' energy: -94.516
flat angles C4'-P-C4' energy: -79.079
flat angles P-C4'-P energy: -68.980
tors. eta vs tors. theta energy: -67.544
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: 10, replica: 10
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -985.311942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.311942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.311942 (E_RNA)
where:
Base-Base interactions energy: -654.936
where: short stacking energy: -294.921
Base-Backbone interact. energy: -2.409
local terms energy: -327.966598
where:
bonds (distance) C4'-P energy: -73.178
bonds (distance) P-C4' energy: -88.223
flat angles C4'-P-C4' energy: -74.129
flat angles P-C4'-P energy: -37.930
tors. eta vs tors. theta energy: -54.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -1938.871604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.871604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.871604 (E_RNA)
where:
Base-Base interactions energy: -1386.038
where: short stacking energy: -545.930
Base-Backbone interact. energy: -2.656
local terms energy: -550.177163
where:
bonds (distance) C4'-P energy: -99.734
bonds (distance) P-C4' energy: -97.586
flat angles C4'-P-C4' energy: -124.518
flat angles P-C4'-P energy: -74.844
tors. eta vs tors. theta energy: -153.494
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: 46
Temperature: 0.950000
Total energy: -1878.020932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.020932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.020932 (E_RNA)
where:
Base-Base interactions energy: -1363.649
where: short stacking energy: -536.293
Base-Backbone interact. energy: -1.079
local terms energy: -513.292497
where:
bonds (distance) C4'-P energy: -93.682
bonds (distance) P-C4' energy: -93.595
flat angles C4'-P-C4' energy: -117.991
flat angles P-C4'-P energy: -72.217
tors. eta vs tors. theta energy: -135.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -1761.511022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.511022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.511022 (E_RNA)
where:
Base-Base interactions energy: -1257.869
where: short stacking energy: -517.346
Base-Backbone interact. energy: -2.305
local terms energy: -501.337165
where:
bonds (distance) C4'-P energy: -87.993
bonds (distance) P-C4' energy: -90.168
flat angles C4'-P-C4' energy: -108.884
flat angles P-C4'-P energy: -80.459
tors. eta vs tors. theta energy: -133.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -1718.469572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.469572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.469572 (E_RNA)
where:
Base-Base interactions energy: -1205.702
where: short stacking energy: -484.639
Base-Backbone interact. energy: -2.356
local terms energy: -510.411433
where:
bonds (distance) C4'-P energy: -88.200
bonds (distance) P-C4' energy: -106.741
flat angles C4'-P-C4' energy: -102.589
flat angles P-C4'-P energy: -81.772
tors. eta vs tors. theta energy: -131.110
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: 5, replica: 3
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -1678.252796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.252796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.252796 (E_RNA)
where:
Base-Base interactions energy: -1187.929
where: short stacking energy: -482.312
Base-Backbone interact. energy: -2.370
local terms energy: -487.953295
where:
bonds (distance) C4'-P energy: -87.355
bonds (distance) P-C4' energy: -106.361
flat angles C4'-P-C4' energy: -102.960
flat angles P-C4'-P energy: -66.033
tors. eta vs tors. theta energy: -125.245
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: 6, replica: 5
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -1582.631929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1582.631929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1582.631929 (E_RNA)
where:
Base-Base interactions energy: -1124.476
where: short stacking energy: -448.550
Base-Backbone interact. energy: -0.904
local terms energy: -457.251683
where:
bonds (distance) C4'-P energy: -81.863
bonds (distance) P-C4' energy: -102.390
flat angles C4'-P-C4' energy: -112.898
flat angles P-C4'-P energy: -54.215
tors. eta vs tors. theta energy: -105.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -1404.134098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.134098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.134098 (E_RNA)
where:
Base-Base interactions energy: -973.860
where: short stacking energy: -391.416
Base-Backbone interact. energy: -2.257
local terms energy: -428.017390
where:
bonds (distance) C4'-P energy: -82.264
bonds (distance) P-C4' energy: -89.198
flat angles C4'-P-C4' energy: -99.656
flat angles P-C4'-P energy: -59.955
tors. eta vs tors. theta energy: -96.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -1304.863928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.863928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.863928 (E_RNA)
where:
Base-Base interactions energy: -908.370
where: short stacking energy: -372.219
Base-Backbone interact. energy: 1.609
local terms energy: -398.102365
where:
bonds (distance) C4'-P energy: -80.077
bonds (distance) P-C4' energy: -90.897
flat angles C4'-P-C4' energy: -90.753
flat angles P-C4'-P energy: -56.679
tors. eta vs tors. theta energy: -79.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -1269.064507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1269.064507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1269.064507 (E_RNA)
where:
Base-Base interactions energy: -845.822
where: short stacking energy: -356.590
Base-Backbone interact. energy: -0.974
local terms energy: -422.268600
where:
bonds (distance) C4'-P energy: -87.914
bonds (distance) P-C4' energy: -95.548
flat angles C4'-P-C4' energy: -97.919
flat angles P-C4'-P energy: -76.465
tors. eta vs tors. theta energy: -64.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -971.796046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.796046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.796046 (E_RNA)
where:
Base-Base interactions energy: -640.380
where: short stacking energy: -277.219
Base-Backbone interact. energy: -0.022
local terms energy: -331.394150
where:
bonds (distance) C4'-P energy: -66.057
bonds (distance) P-C4' energy: -77.632
flat angles C4'-P-C4' energy: -83.250
flat angles P-C4'-P energy: -51.413
tors. eta vs tors. theta energy: -53.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -1938.046187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.046187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.046187 (E_RNA)
where:
Base-Base interactions energy: -1399.989
where: short stacking energy: -562.051
Base-Backbone interact. energy: -4.249
local terms energy: -533.807529
where:
bonds (distance) C4'-P energy: -88.723
bonds (distance) P-C4' energy: -98.624
flat angles C4'-P-C4' energy: -117.848
flat angles P-C4'-P energy: -82.336
tors. eta vs tors. theta energy: -146.276
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: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -1900.483493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.483493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.483493 (E_RNA)
where:
Base-Base interactions energy: -1367.749
where: short stacking energy: -539.748
Base-Backbone interact. energy: -3.483
local terms energy: -529.251794
where:
bonds (distance) C4'-P energy: -103.085
bonds (distance) P-C4' energy: -92.651
flat angles C4'-P-C4' energy: -111.799
flat angles P-C4'-P energy: -75.614
tors. eta vs tors. theta energy: -146.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -1829.754470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.754470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.754470 (E_RNA)
where:
Base-Base interactions energy: -1286.680
where: short stacking energy: -527.119
Base-Backbone interact. energy: -1.261
local terms energy: -541.813221
where:
bonds (distance) C4'-P energy: -108.948
bonds (distance) P-C4' energy: -108.098
flat angles C4'-P-C4' energy: -121.102
flat angles P-C4'-P energy: -65.781
tors. eta vs tors. theta energy: -137.885
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: 8
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -1730.777872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.777872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.777872 (E_RNA)
where:
Base-Base interactions energy: -1224.286
where: short stacking energy: -507.391
Base-Backbone interact. energy: -0.159
local terms energy: -506.333070
where:
bonds (distance) C4'-P energy: -83.047
bonds (distance) P-C4' energy: -91.943
flat angles C4'-P-C4' energy: -110.634
flat angles P-C4'-P energy: -80.073
tors. eta vs tors. theta energy: -140.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -1713.357793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.357793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.357793 (E_RNA)
where:
Base-Base interactions energy: -1207.512
where: short stacking energy: -505.335
Base-Backbone interact. energy: -0.508
local terms energy: -505.337162
where:
bonds (distance) C4'-P energy: -85.789
bonds (distance) P-C4' energy: -111.235
flat angles C4'-P-C4' energy: -105.021
flat angles P-C4'-P energy: -68.220
tors. eta vs tors. theta energy: -135.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -1596.591746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.591746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.591746 (E_RNA)
where:
Base-Base interactions energy: -1123.267
where: short stacking energy: -472.861
Base-Backbone interact. energy: -2.617
local terms energy: -470.707532
where:
bonds (distance) C4'-P energy: -92.433
bonds (distance) P-C4' energy: -87.925
flat angles C4'-P-C4' energy: -108.442
flat angles P-C4'-P energy: -60.599
tors. eta vs tors. theta energy: -121.308
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: 7
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -1366.921680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.921680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.921680 (E_RNA)
where:
Base-Base interactions energy: -935.617
where: short stacking energy: -409.874
Base-Backbone interact. energy: -2.101
local terms energy: -429.203380
where:
bonds (distance) C4'-P energy: -90.175
bonds (distance) P-C4' energy: -91.056
flat angles C4'-P-C4' energy: -106.924
flat angles P-C4'-P energy: -53.132
tors. eta vs tors. theta energy: -87.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -1309.225485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.225485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.225485 (E_RNA)
where:
Base-Base interactions energy: -909.223
where: short stacking energy: -379.391
Base-Backbone interact. energy: -2.529
local terms energy: -397.473767
where:
bonds (distance) C4'-P energy: -91.593
bonds (distance) P-C4' energy: -86.912
flat angles C4'-P-C4' energy: -91.501
flat angles P-C4'-P energy: -47.925
tors. eta vs tors. theta energy: -79.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -1186.970100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.970100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.970100 (E_RNA)
where:
Base-Base interactions energy: -818.934
where: short stacking energy: -320.294
Base-Backbone interact. energy: -0.231
local terms energy: -367.805894
where:
bonds (distance) C4'-P energy: -81.266
bonds (distance) P-C4' energy: -73.812
flat angles C4'-P-C4' energy: -85.027
flat angles P-C4'-P energy: -58.366
tors. eta vs tors. theta energy: -69.335
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: 10
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -1014.570158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.570158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.570158 (E_RNA)
where:
Base-Base interactions energy: -636.475
where: short stacking energy: -286.308
Base-Backbone interact. energy: -0.373
local terms energy: -377.721965
where:
bonds (distance) C4'-P energy: -77.229
bonds (distance) P-C4' energy: -100.923
flat angles C4'-P-C4' energy: -87.316
flat angles P-C4'-P energy: -60.365
tors. eta vs tors. theta energy: -51.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -1958.593456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.593456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.593456 (E_RNA)
where:
Base-Base interactions energy: -1401.816
where: short stacking energy: -558.865
Base-Backbone interact. energy: -3.911
local terms energy: -552.865969
where:
bonds (distance) C4'-P energy: -98.580
bonds (distance) P-C4' energy: -101.860
flat angles C4'-P-C4' energy: -115.551
flat angles P-C4'-P energy: -85.712
tors. eta vs tors. theta energy: -151.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -1928.033822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.033822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.033822 (E_RNA)
where:
Base-Base interactions energy: -1367.324
where: short stacking energy: -540.834
Base-Backbone interact. energy: -3.635
local terms energy: -557.075339
where:
bonds (distance) C4'-P energy: -105.452
bonds (distance) P-C4' energy: -94.776
flat angles C4'-P-C4' energy: -125.206
flat angles P-C4'-P energy: -80.255
tors. eta vs tors. theta energy: -151.386
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: 4
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -1761.628065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.628065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.628065 (E_RNA)
where:
Base-Base interactions energy: -1253.748
where: short stacking energy: -496.733
Base-Backbone interact. energy: -1.316
local terms energy: -506.563185
where:
bonds (distance) C4'-P energy: -92.481
bonds (distance) P-C4' energy: -98.444
flat angles C4'-P-C4' energy: -113.713
flat angles P-C4'-P energy: -67.287
tors. eta vs tors. theta energy: -134.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -1711.467403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.467403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.467403 (E_RNA)
where:
Base-Base interactions energy: -1219.868
where: short stacking energy: -500.936
Base-Backbone interact. energy: 3.345
local terms energy: -494.944267
where:
bonds (distance) C4'-P energy: -90.464
bonds (distance) P-C4' energy: -98.428
flat angles C4'-P-C4' energy: -101.660
flat angles P-C4'-P energy: -77.306
tors. eta vs tors. theta energy: -127.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -1675.518961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.518961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.518961 (E_RNA)
where:
Base-Base interactions energy: -1174.651
where: short stacking energy: -476.602
Base-Backbone interact. energy: 0.904
local terms energy: -501.772792
where:
bonds (distance) C4'-P energy: -79.765
bonds (distance) P-C4' energy: -98.817
flat angles C4'-P-C4' energy: -118.583
flat angles P-C4'-P energy: -72.764
tors. eta vs tors. theta energy: -131.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -1619.085329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.085329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.085329 (E_RNA)
where:
Base-Base interactions energy: -1137.529
where: short stacking energy: -448.654
Base-Backbone interact. energy: 4.559
local terms energy: -486.115215
where:
bonds (distance) C4'-P energy: -98.800
bonds (distance) P-C4' energy: -94.762
flat angles C4'-P-C4' energy: -116.028
flat angles P-C4'-P energy: -63.236
tors. eta vs tors. theta energy: -113.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -1341.633875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.633875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.633875 (E_RNA)
where:
Base-Base interactions energy: -928.499
where: short stacking energy: -401.290
Base-Backbone interact. energy: 0.986
local terms energy: -414.120442
where:
bonds (distance) C4'-P energy: -71.750
bonds (distance) P-C4' energy: -105.392
flat angles C4'-P-C4' energy: -86.297
flat angles P-C4'-P energy: -64.359
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: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -1314.840793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.840793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.840793 (E_RNA)
where:
Base-Base interactions energy: -905.314
where: short stacking energy: -367.934
Base-Backbone interact. energy: 1.320
local terms energy: -410.847349
where:
bonds (distance) C4'-P energy: -73.711
bonds (distance) P-C4' energy: -91.360
flat angles C4'-P-C4' energy: -97.907
flat angles P-C4'-P energy: -66.582
tors. eta vs tors. theta energy: -81.288
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: 6
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -1276.214764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.214764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.214764 (E_RNA)
where:
Base-Base interactions energy: -900.033
where: short stacking energy: -379.130
Base-Backbone interact. energy: -1.960
local terms energy: -374.221353
where:
bonds (distance) C4'-P energy: -73.306
bonds (distance) P-C4' energy: -85.755
flat angles C4'-P-C4' energy: -84.499
flat angles P-C4'-P energy: -50.223
tors. eta vs tors. theta energy: -80.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -990.309314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -990.309314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -990.309314 (E_RNA)
where:
Base-Base interactions energy: -658.903
where: short stacking energy: -307.023
Base-Backbone interact. energy: -0.178
local terms energy: -331.227851
where:
bonds (distance) C4'-P energy: -88.662
bonds (distance) P-C4' energy: -73.736
flat angles C4'-P-C4' energy: -81.386
flat angles P-C4'-P energy: -32.630
tors. eta vs tors. theta energy: -54.813
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: 1
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -1950.145169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.145169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.145169 (E_RNA)
where:
Base-Base interactions energy: -1389.908
where: short stacking energy: -555.321
Base-Backbone interact. energy: 0.038
local terms energy: -560.274774
where:
bonds (distance) C4'-P energy: -101.380
bonds (distance) P-C4' energy: -102.775
flat angles C4'-P-C4' energy: -116.119
flat angles P-C4'-P energy: -87.309
tors. eta vs tors. theta energy: -152.691
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: 2
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -1902.496120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.496120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.496120 (E_RNA)
where:
Base-Base interactions energy: -1364.029
where: short stacking energy: -537.678
Base-Backbone interact. energy: -0.664
local terms energy: -537.803625
where:
bonds (distance) C4'-P energy: -87.254
bonds (distance) P-C4' energy: -101.014
flat angles C4'-P-C4' energy: -117.738
flat angles P-C4'-P energy: -85.490
tors. eta vs tors. theta energy: -146.308
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: 4
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -1797.415898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.415898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.415898 (E_RNA)
where:
Base-Base interactions energy: -1275.523
where: short stacking energy: -515.417
Base-Backbone interact. energy: -2.945
local terms energy: -518.947850
where:
bonds (distance) C4'-P energy: -90.372
bonds (distance) P-C4' energy: -90.479
flat angles C4'-P-C4' energy: -114.010
flat angles P-C4'-P energy: -79.229
tors. eta vs tors. theta energy: -144.857
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: 8
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -1740.201596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.201596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.201596 (E_RNA)
where:
Base-Base interactions energy: -1230.251
where: short stacking energy: -485.229
Base-Backbone interact. energy: 4.275
local terms energy: -514.225371
where:
bonds (distance) C4'-P energy: -83.643
bonds (distance) P-C4' energy: -103.910
flat angles C4'-P-C4' energy: -106.394
flat angles P-C4'-P energy: -89.015
tors. eta vs tors. theta energy: -131.264
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: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -1719.859469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.859469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.859469 (E_RNA)
where:
Base-Base interactions energy: -1206.105
where: short stacking energy: -495.697
Base-Backbone interact. energy: 2.003
local terms energy: -515.758098
where:
bonds (distance) C4'-P energy: -85.410
bonds (distance) P-C4' energy: -104.438
flat angles C4'-P-C4' energy: -111.561
flat angles P-C4'-P energy: -73.333
tors. eta vs tors. theta energy: -141.016
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: 5
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -1613.164221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.164221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.164221 (E_RNA)
where:
Base-Base interactions energy: -1136.583
where: short stacking energy: -468.746
Base-Backbone interact. energy: 0.050
local terms energy: -476.630907
where:
bonds (distance) C4'-P energy: -84.861
bonds (distance) P-C4' energy: -100.992
flat angles C4'-P-C4' energy: -100.680
flat angles P-C4'-P energy: -65.264
tors. eta vs tors. theta energy: -124.834
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: 7
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -1378.290470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.290470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.290470 (E_RNA)
where:
Base-Base interactions energy: -935.846
where: short stacking energy: -409.817
Base-Backbone interact. energy: -0.766
local terms energy: -441.678412
where:
bonds (distance) C4'-P energy: -86.452
bonds (distance) P-C4' energy: -92.033
flat angles C4'-P-C4' energy: -103.386
flat angles P-C4'-P energy: -61.698
tors. eta vs tors. theta energy: -98.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -1308.870334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.870334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.870334 (E_RNA)
where:
Base-Base interactions energy: -916.281
where: short stacking energy: -375.377
Base-Backbone interact. energy: -2.837
local terms energy: -389.752008
where:
bonds (distance) C4'-P energy: -84.021
bonds (distance) P-C4' energy: -89.058
flat angles C4'-P-C4' energy: -87.501
flat angles P-C4'-P energy: -52.408
tors. eta vs tors. theta energy: -76.764
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: 6
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -1216.443279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.443279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.443279 (E_RNA)
where:
Base-Base interactions energy: -823.655
where: short stacking energy: -346.541
Base-Backbone interact. energy: 1.821
local terms energy: -394.608996
where:
bonds (distance) C4'-P energy: -86.961
bonds (distance) P-C4' energy: -95.795
flat angles C4'-P-C4' energy: -82.802
flat angles P-C4'-P energy: -51.219
tors. eta vs tors. theta energy: -77.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -947.673242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -947.673242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -947.673242 (E_RNA)
where:
Base-Base interactions energy: -593.018
where: short stacking energy: -260.068
Base-Backbone interact. energy: 1.221
local terms energy: -355.876338
where:
bonds (distance) C4'-P energy: -68.479
bonds (distance) P-C4' energy: -91.418
flat angles C4'-P-C4' energy: -81.010
flat angles P-C4'-P energy: -63.372
tors. eta vs tors. theta energy: -51.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -1960.741004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.741004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.741004 (E_RNA)
where:
Base-Base interactions energy: -1387.173
where: short stacking energy: -560.640
Base-Backbone interact. energy: -4.292
local terms energy: -569.275928
where:
bonds (distance) C4'-P energy: -106.499
bonds (distance) P-C4' energy: -100.586
flat angles C4'-P-C4' energy: -123.140
flat angles P-C4'-P energy: -81.413
tors. eta vs tors. theta energy: -157.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -1889.162178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.162178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.162178 (E_RNA)
where:
Base-Base interactions energy: -1354.981
where: short stacking energy: -525.301
Base-Backbone interact. energy: 1.676
local terms energy: -535.857269
where:
bonds (distance) C4'-P energy: -103.459
bonds (distance) P-C4' energy: -99.686
flat angles C4'-P-C4' energy: -112.325
flat angles P-C4'-P energy: -73.295
tors. eta vs tors. theta energy: -147.092
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: 50
Temperature: 1.000000
Total energy: -1799.081918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.081918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.081918 (E_RNA)
where:
Base-Base interactions energy: -1269.340
where: short stacking energy: -520.985
Base-Backbone interact. energy: -2.096
local terms energy: -527.645147
where:
bonds (distance) C4'-P energy: -95.665
bonds (distance) P-C4' energy: -106.952
flat angles C4'-P-C4' energy: -110.036
flat angles P-C4'-P energy: -69.886
tors. eta vs tors. theta energy: -145.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -1703.854988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.854988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.854988 (E_RNA)
where:
Base-Base interactions energy: -1211.304
where: short stacking energy: -491.835
Base-Backbone interact. energy: -0.714
local terms energy: -491.836817
where:
bonds (distance) C4'-P energy: -98.616
bonds (distance) P-C4' energy: -80.996
flat angles C4'-P-C4' energy: -109.634
flat angles P-C4'-P energy: -66.852
tors. eta vs tors. theta energy: -135.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -1656.719237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.719237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.719237 (E_RNA)
where:
Base-Base interactions energy: -1169.462
where: short stacking energy: -467.278
Base-Backbone interact. energy: -0.896
local terms energy: -486.360608
where:
bonds (distance) C4'-P energy: -85.469
bonds (distance) P-C4' energy: -92.505
flat angles C4'-P-C4' energy: -116.020
flat angles P-C4'-P energy: -65.283
tors. eta vs tors. theta energy: -127.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -1577.743975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.743975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.743975 (E_RNA)
where:
Base-Base interactions energy: -1103.976
where: short stacking energy: -455.079
Base-Backbone interact. energy: -1.040
local terms energy: -472.728568
where:
bonds (distance) C4'-P energy: -99.007
bonds (distance) P-C4' energy: -93.140
flat angles C4'-P-C4' energy: -99.671
flat angles P-C4'-P energy: -55.140
tors. eta vs tors. theta energy: -125.771
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: 7
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -1330.537896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.537896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.537896 (E_RNA)
where:
Base-Base interactions energy: -899.175
where: short stacking energy: -379.644
Base-Backbone interact. energy: -0.631
local terms energy: -430.732129
where:
bonds (distance) C4'-P energy: -91.071
bonds (distance) P-C4' energy: -90.382
flat angles C4'-P-C4' energy: -90.160
flat angles P-C4'-P energy: -60.064
tors. eta vs tors. theta energy: -99.056
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: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -1268.047502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.047502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.047502 (E_RNA)
where:
Base-Base interactions energy: -890.168
where: short stacking energy: -367.223
Base-Backbone interact. energy: -1.970
local terms energy: -375.909942
where:
bonds (distance) C4'-P energy: -77.703
bonds (distance) P-C4' energy: -85.036
flat angles C4'-P-C4' energy: -87.514
flat angles P-C4'-P energy: -51.625
tors. eta vs tors. theta energy: -74.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -1190.003710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.003710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.003710 (E_RNA)
where:
Base-Base interactions energy: -813.044
where: short stacking energy: -346.735
Base-Backbone interact. energy: -0.541
local terms energy: -376.418796
where:
bonds (distance) C4'-P energy: -88.090
bonds (distance) P-C4' energy: -70.639
flat angles C4'-P-C4' energy: -84.608
flat angles P-C4'-P energy: -55.659
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: 10, replica: 10
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -943.185939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -943.185939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -943.185939 (E_RNA)
where:
Base-Base interactions energy: -582.257
where: short stacking energy: -245.382
Base-Backbone interact. energy: -1.213
local terms energy: -359.715948
where:
bonds (distance) C4'-P energy: -87.668
bonds (distance) P-C4' energy: -90.049
flat angles C4'-P-C4' energy: -89.316
flat angles P-C4'-P energy: -62.285
tors. eta vs tors. theta energy: -30.398
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: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -1967.386371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.386371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.386371 (E_RNA)
where:
Base-Base interactions energy: -1423.023
where: short stacking energy: -570.676
Base-Backbone interact. energy: 0.824
local terms energy: -545.187256
where:
bonds (distance) C4'-P energy: -95.203
bonds (distance) P-C4' energy: -106.127
flat angles C4'-P-C4' energy: -123.357
flat angles P-C4'-P energy: -64.049
tors. eta vs tors. theta energy: -156.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -1891.155207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.155207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.155207 (E_RNA)
where:
Base-Base interactions energy: -1341.410
where: short stacking energy: -540.607
Base-Backbone interact. energy: -1.369
local terms energy: -548.376098
where:
bonds (distance) C4'-P energy: -98.010
bonds (distance) P-C4' energy: -99.862
flat angles C4'-P-C4' energy: -116.784
flat angles P-C4'-P energy: -86.770
tors. eta vs tors. theta energy: -146.951
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: 3, replica: 4
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -1796.207000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.207000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.207000 (E_RNA)
where:
Base-Base interactions energy: -1279.020
where: short stacking energy: -514.179
Base-Backbone interact. energy: -2.699
local terms energy: -514.488287
where:
bonds (distance) C4'-P energy: -84.676
bonds (distance) P-C4' energy: -103.644
flat angles C4'-P-C4' energy: -109.523
flat angles P-C4'-P energy: -76.754
tors. eta vs tors. theta energy: -139.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -1726.349712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.349712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.349712 (E_RNA)
where:
Base-Base interactions energy: -1220.747
where: short stacking energy: -509.282
Base-Backbone interact. energy: 4.131
local terms energy: -509.733681
where:
bonds (distance) C4'-P energy: -83.633
bonds (distance) P-C4' energy: -96.355
flat angles C4'-P-C4' energy: -107.359
flat angles P-C4'-P energy: -81.459
tors. eta vs tors. theta energy: -140.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -1658.185599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.185599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.185599 (E_RNA)
where:
Base-Base interactions energy: -1171.606
where: short stacking energy: -479.604
Base-Backbone interact. energy: -2.986
local terms energy: -483.593349
where:
bonds (distance) C4'-P energy: -93.819
bonds (distance) P-C4' energy: -88.467
flat angles C4'-P-C4' energy: -105.587
flat angles P-C4'-P energy: -65.876
tors. eta vs tors. theta energy: -129.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -1581.182806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.182806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.182806 (E_RNA)
where:
Base-Base interactions energy: -1088.668
where: short stacking energy: -438.061
Base-Backbone interact. energy: -3.047
local terms energy: -489.468623
where:
bonds (distance) C4'-P energy: -90.432
bonds (distance) P-C4' energy: -101.560
flat angles C4'-P-C4' energy: -102.205
flat angles P-C4'-P energy: -75.088
tors. eta vs tors. theta energy: -120.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -1359.229266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.229266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.229266 (E_RNA)
where:
Base-Base interactions energy: -935.841
where: short stacking energy: -404.923
Base-Backbone interact. energy: -1.458
local terms energy: -421.929333
where:
bonds (distance) C4'-P energy: -83.168
bonds (distance) P-C4' energy: -86.565
flat angles C4'-P-C4' energy: -97.592
flat angles P-C4'-P energy: -63.158
tors. eta vs tors. theta energy: -91.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -1337.705811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.705811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.705811 (E_RNA)
where:
Base-Base interactions energy: -920.033
where: short stacking energy: -379.949
Base-Backbone interact. energy: -3.565
local terms energy: -414.107715
where:
bonds (distance) C4'-P energy: -70.043
bonds (distance) P-C4' energy: -91.388
flat angles C4'-P-C4' energy: -92.298
flat angles P-C4'-P energy: -65.627
tors. eta vs tors. theta energy: -94.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -1239.417955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1239.417955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1239.417955 (E_RNA)
where:
Base-Base interactions energy: -851.062
where: short stacking energy: -358.348
Base-Backbone interact. energy: 2.960
local terms energy: -391.315761
where:
bonds (distance) C4'-P energy: -90.805
bonds (distance) P-C4' energy: -71.996
flat angles C4'-P-C4' energy: -101.085
flat angles P-C4'-P energy: -53.159
tors. eta vs tors. theta energy: -74.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -920.229076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.229076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.229076 (E_RNA)
where:
Base-Base interactions energy: -600.806
where: short stacking energy: -249.837
Base-Backbone interact. energy: -2.545
local terms energy: -316.877911
where:
bonds (distance) C4'-P energy: -57.753
bonds (distance) P-C4' energy: -101.439
flat angles C4'-P-C4' energy: -83.746
flat angles P-C4'-P energy: -44.288
tors. eta vs tors. theta energy: -29.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -1951.895443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.895443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.895443 (E_RNA)
where:
Base-Base interactions energy: -1384.745
where: short stacking energy: -524.551
Base-Backbone interact. energy: -0.853
local terms energy: -566.297002
where:
bonds (distance) C4'-P energy: -113.040
bonds (distance) P-C4' energy: -107.820
flat angles C4'-P-C4' energy: -122.606
flat angles P-C4'-P energy: -74.844
tors. eta vs tors. theta energy: -147.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -1848.775160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.775160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.775160 (E_RNA)
where:
Base-Base interactions energy: -1295.166
where: short stacking energy: -519.515
Base-Backbone interact. energy: -3.685
local terms energy: -549.924137
where:
bonds (distance) C4'-P energy: -103.410
bonds (distance) P-C4' energy: -106.383
flat angles C4'-P-C4' energy: -117.630
flat angles P-C4'-P energy: -73.408
tors. eta vs tors. theta energy: -149.094
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: 4
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -1849.389793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.389793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.389793 (E_RNA)
where:
Base-Base interactions energy: -1321.038
where: short stacking energy: -530.772
Base-Backbone interact. energy: -0.685
local terms energy: -527.666987
where:
bonds (distance) C4'-P energy: -84.885
bonds (distance) P-C4' energy: -98.058
flat angles C4'-P-C4' energy: -113.564
flat angles P-C4'-P energy: -90.772
tors. eta vs tors. theta energy: -140.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -1690.596061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.596061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.596061 (E_RNA)
where:
Base-Base interactions energy: -1185.035
where: short stacking energy: -477.068
Base-Backbone interact. energy: 2.432
local terms energy: -507.993521
where:
bonds (distance) C4'-P energy: -102.331
bonds (distance) P-C4' energy: -92.713
flat angles C4'-P-C4' energy: -121.262
flat angles P-C4'-P energy: -67.112
tors. eta vs tors. theta energy: -124.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -1622.084216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.084216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.084216 (E_RNA)
where:
Base-Base interactions energy: -1161.196
where: short stacking energy: -483.756
Base-Backbone interact. energy: 0.501
local terms energy: -461.389094
where:
bonds (distance) C4'-P energy: -99.176
bonds (distance) P-C4' energy: -92.181
flat angles C4'-P-C4' energy: -86.607
flat angles P-C4'-P energy: -60.185
tors. eta vs tors. theta energy: -123.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -1528.690905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.690905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.690905 (E_RNA)
where:
Base-Base interactions energy: -1064.893
where: short stacking energy: -427.337
Base-Backbone interact. energy: -0.933
local terms energy: -462.864913
where:
bonds (distance) C4'-P energy: -84.509
bonds (distance) P-C4' energy: -105.589
flat angles C4'-P-C4' energy: -107.312
flat angles P-C4'-P energy: -53.993
tors. eta vs tors. theta energy: -111.463
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: 7
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -1410.960002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.960002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.960002 (E_RNA)
where:
Base-Base interactions energy: -1001.569
where: short stacking energy: -450.707
Base-Backbone interact. energy: 2.654
local terms energy: -412.044779
where:
bonds (distance) C4'-P energy: -73.687
bonds (distance) P-C4' energy: -76.136
flat angles C4'-P-C4' energy: -92.751
flat angles P-C4'-P energy: -55.744
tors. eta vs tors. theta energy: -113.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -1366.382463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.382463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.382463 (E_RNA)
where:
Base-Base interactions energy: -950.436
where: short stacking energy: -390.548
Base-Backbone interact. energy: 1.578
local terms energy: -417.524611
where:
bonds (distance) C4'-P energy: -89.006
bonds (distance) P-C4' energy: -91.806
flat angles C4'-P-C4' energy: -89.681
flat angles P-C4'-P energy: -57.719
tors. eta vs tors. theta energy: -89.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -1221.719336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1221.719336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1221.719336 (E_RNA)
where:
Base-Base interactions energy: -837.027
where: short stacking energy: -333.492
Base-Backbone interact. energy: -1.731
local terms energy: -382.961643
where:
bonds (distance) C4'-P energy: -87.839
bonds (distance) P-C4' energy: -80.891
flat angles C4'-P-C4' energy: -91.219
flat angles P-C4'-P energy: -48.806
tors. eta vs tors. theta energy: -74.207
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: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -983.015153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.015153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.015153 (E_RNA)
where:
Base-Base interactions energy: -658.696
where: short stacking energy: -278.159
Base-Backbone interact. energy: 1.146
local terms energy: -325.465770
where:
bonds (distance) C4'-P energy: -76.261
bonds (distance) P-C4' energy: -64.508
flat angles C4'-P-C4' energy: -92.038
flat angles P-C4'-P energy: -58.451
tors. eta vs tors. theta energy: -34.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -1952.112078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.112078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.112078 (E_RNA)
where:
Base-Base interactions energy: -1400.813
where: short stacking energy: -554.514
Base-Backbone interact. energy: -2.317
local terms energy: -548.981661
where:
bonds (distance) C4'-P energy: -88.788
bonds (distance) P-C4' energy: -102.667
flat angles C4'-P-C4' energy: -123.279
flat angles P-C4'-P energy: -75.318
tors. eta vs tors. theta energy: -158.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -1859.944854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.944854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.944854 (E_RNA)
where:
Base-Base interactions energy: -1309.052
where: short stacking energy: -512.044
Base-Backbone interact. energy: -3.537
local terms energy: -547.356475
where:
bonds (distance) C4'-P energy: -95.868
bonds (distance) P-C4' energy: -116.664
flat angles C4'-P-C4' energy: -108.233
flat angles P-C4'-P energy: -75.572
tors. eta vs tors. theta energy: -151.019
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: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -1850.706170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.706170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.706170 (E_RNA)
where:
Base-Base interactions energy: -1312.521
where: short stacking energy: -528.635
Base-Backbone interact. energy: -3.098
local terms energy: -535.087277
where:
bonds (distance) C4'-P energy: -94.570
bonds (distance) P-C4' energy: -102.388
flat angles C4'-P-C4' energy: -111.762
flat angles P-C4'-P energy: -80.440
tors. eta vs tors. theta energy: -145.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -1715.448545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.448545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.448545 (E_RNA)
where:
Base-Base interactions energy: -1211.558
where: short stacking energy: -502.485
Base-Backbone interact. energy: -0.422
local terms energy: -503.468337
where:
bonds (distance) C4'-P energy: -90.980
bonds (distance) P-C4' energy: -79.142
flat angles C4'-P-C4' energy: -110.923
flat angles P-C4'-P energy: -87.717
tors. eta vs tors. theta energy: -134.706
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: 3
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -1672.122755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.122755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.122755 (E_RNA)
where:
Base-Base interactions energy: -1183.093
where: short stacking energy: -491.771
Base-Backbone interact. energy: -0.567
local terms energy: -488.462375
where:
bonds (distance) C4'-P energy: -89.129
bonds (distance) P-C4' energy: -81.106
flat angles C4'-P-C4' energy: -119.412
flat angles P-C4'-P energy: -68.240
tors. eta vs tors. theta energy: -130.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -1477.300542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.300542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.300542 (E_RNA)
where:
Base-Base interactions energy: -1019.459
where: short stacking energy: -409.068
Base-Backbone interact. energy: -3.926
local terms energy: -453.915291
where:
bonds (distance) C4'-P energy: -83.846
bonds (distance) P-C4' energy: -96.947
flat angles C4'-P-C4' energy: -102.487
flat angles P-C4'-P energy: -74.867
tors. eta vs tors. theta energy: -95.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -1385.173487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.173487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.173487 (E_RNA)
where:
Base-Base interactions energy: -942.847
where: short stacking energy: -393.854
Base-Backbone interact. energy: 0.315
local terms energy: -442.641350
where:
bonds (distance) C4'-P energy: -76.253
bonds (distance) P-C4' energy: -91.039
flat angles C4'-P-C4' energy: -96.789
flat angles P-C4'-P energy: -72.182
tors. eta vs tors. theta energy: -106.378
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: 8, replica: 9
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -1338.953943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.953943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.953943 (E_RNA)
where:
Base-Base interactions energy: -941.305
where: short stacking energy: -358.798
Base-Backbone interact. energy: 1.186
local terms energy: -398.834887
where:
bonds (distance) C4'-P energy: -74.018
bonds (distance) P-C4' energy: -80.296
flat angles C4'-P-C4' energy: -103.208
flat angles P-C4'-P energy: -62.447
tors. eta vs tors. theta energy: -78.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -1242.979092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.979092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.979092 (E_RNA)
where:
Base-Base interactions energy: -881.643
where: short stacking energy: -359.777
Base-Backbone interact. energy: -2.050
local terms energy: -359.286723
where:
bonds (distance) C4'-P energy: -54.940
bonds (distance) P-C4' energy: -86.061
flat angles C4'-P-C4' energy: -78.963
flat angles P-C4'-P energy: -52.437
tors. eta vs tors. theta energy: -86.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -961.456881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -961.456881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -961.456881 (E_RNA)
where:
Base-Base interactions energy: -624.733
where: short stacking energy: -269.553
Base-Backbone interact. energy: 2.016
local terms energy: -338.739893
where:
bonds (distance) C4'-P energy: -80.820
bonds (distance) P-C4' energy: -83.191
flat angles C4'-P-C4' energy: -79.142
flat angles P-C4'-P energy: -35.874
tors. eta vs tors. theta energy: -59.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -1960.430069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.430069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.430069 (E_RNA)
where:
Base-Base interactions energy: -1409.960
where: short stacking energy: -557.106
Base-Backbone interact. energy: -1.627
local terms energy: -548.842756
where:
bonds (distance) C4'-P energy: -96.221
bonds (distance) P-C4' energy: -102.832
flat angles C4'-P-C4' energy: -117.497
flat angles P-C4'-P energy: -77.552
tors. eta vs tors. theta energy: -154.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -1884.674682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.674682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.674682 (E_RNA)
where:
Base-Base interactions energy: -1345.766
where: short stacking energy: -540.278
Base-Backbone interact. energy: -0.163
local terms energy: -538.745949
where:
bonds (distance) C4'-P energy: -94.780
bonds (distance) P-C4' energy: -89.539
flat angles C4'-P-C4' energy: -122.962
flat angles P-C4'-P energy: -82.207
tors. eta vs tors. theta energy: -149.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -1843.655099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.655099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.655099 (E_RNA)
where:
Base-Base interactions energy: -1298.969
where: short stacking energy: -515.944
Base-Backbone interact. energy: -2.987
local terms energy: -541.698730
where:
bonds (distance) C4'-P energy: -102.529
bonds (distance) P-C4' energy: -95.194
flat angles C4'-P-C4' energy: -110.538
flat angles P-C4'-P energy: -77.832
tors. eta vs tors. theta energy: -155.606
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: 8
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -1682.675090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.675090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.675090 (E_RNA)
where:
Base-Base interactions energy: -1196.424
where: short stacking energy: -481.770
Base-Backbone interact. energy: -4.772
local terms energy: -481.478705
where:
bonds (distance) C4'-P energy: -97.847
bonds (distance) P-C4' energy: -84.824
flat angles C4'-P-C4' energy: -104.876
flat angles P-C4'-P energy: -77.319
tors. eta vs tors. theta energy: -116.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -1682.018733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.018733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.018733 (E_RNA)
where:
Base-Base interactions energy: -1198.479
where: short stacking energy: -460.505
Base-Backbone interact. energy: 2.637
local terms energy: -486.176591
where:
bonds (distance) C4'-P energy: -88.947
bonds (distance) P-C4' energy: -96.220
flat angles C4'-P-C4' energy: -104.284
flat angles P-C4'-P energy: -74.678
tors. eta vs tors. theta energy: -122.047
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: 5
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -1489.513820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.513820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.513820 (E_RNA)
where:
Base-Base interactions energy: -1037.464
where: short stacking energy: -421.337
Base-Backbone interact. energy: -0.209
local terms energy: -451.841429
where:
bonds (distance) C4'-P energy: -89.382
bonds (distance) P-C4' energy: -86.602
flat angles C4'-P-C4' energy: -101.624
flat angles P-C4'-P energy: -76.081
tors. eta vs tors. theta energy: -98.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -1413.052264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.052264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.052264 (E_RNA)
where:
Base-Base interactions energy: -974.034
where: short stacking energy: -415.983
Base-Backbone interact. energy: -2.346
local terms energy: -436.671930
where:
bonds (distance) C4'-P energy: -68.421
bonds (distance) P-C4' energy: -94.633
flat angles C4'-P-C4' energy: -100.642
flat angles P-C4'-P energy: -61.455
tors. eta vs tors. theta energy: -111.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -1331.799618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.799618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.799618 (E_RNA)
where:
Base-Base interactions energy: -934.411
where: short stacking energy: -366.739
Base-Backbone interact. energy: -1.749
local terms energy: -395.639403
where:
bonds (distance) C4'-P energy: -80.009
bonds (distance) P-C4' energy: -88.223
flat angles C4'-P-C4' energy: -88.996
flat angles P-C4'-P energy: -70.734
tors. eta vs tors. theta energy: -67.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -1240.222976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.222976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.222976 (E_RNA)
where:
Base-Base interactions energy: -864.211
where: short stacking energy: -362.549
Base-Backbone interact. energy: 0.108
local terms energy: -376.119176
where:
bonds (distance) C4'-P energy: -68.761
bonds (distance) P-C4' energy: -79.140
flat angles C4'-P-C4' energy: -87.637
flat angles P-C4'-P energy: -62.180
tors. eta vs tors. theta energy: -78.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -991.622457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -991.622457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -991.622457 (E_RNA)
where:
Base-Base interactions energy: -650.674
where: short stacking energy: -271.052
Base-Backbone interact. energy: -4.690
local terms energy: -336.257777
where:
bonds (distance) C4'-P energy: -72.975
bonds (distance) P-C4' energy: -93.124
flat angles C4'-P-C4' energy: -83.478
flat angles P-C4'-P energy: -49.503
tors. eta vs tors. theta energy: -37.177
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: 1
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -1942.863980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.863980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.863980 (E_RNA)
where:
Base-Base interactions energy: -1392.867
where: short stacking energy: -523.397
Base-Backbone interact. energy: -2.715
local terms energy: -547.281385
where:
bonds (distance) C4'-P energy: -98.070
bonds (distance) P-C4' energy: -112.204
flat angles C4'-P-C4' energy: -110.510
flat angles P-C4'-P energy: -75.739
tors. eta vs tors. theta energy: -150.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -1894.374968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.374968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.374968 (E_RNA)
where:
Base-Base interactions energy: -1352.005
where: short stacking energy: -540.077
Base-Backbone interact. energy: -2.921
local terms energy: -539.449087
where:
bonds (distance) C4'-P energy: -99.694
bonds (distance) P-C4' energy: -93.180
flat angles C4'-P-C4' energy: -115.378
flat angles P-C4'-P energy: -81.718
tors. eta vs tors. theta energy: -149.479
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: 3, replica: 4
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -1859.146723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.146723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.146723 (E_RNA)
where:
Base-Base interactions energy: -1317.387
where: short stacking energy: -530.840
Base-Backbone interact. energy: 1.897
local terms energy: -543.656711
where:
bonds (distance) C4'-P energy: -95.126
bonds (distance) P-C4' energy: -105.467
flat angles C4'-P-C4' energy: -114.084
flat angles P-C4'-P energy: -78.075
tors. eta vs tors. theta energy: -150.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -1721.692264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.692264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.692264 (E_RNA)
where:
Base-Base interactions energy: -1213.994
where: short stacking energy: -480.547
Base-Backbone interact. energy: -3.202
local terms energy: -504.496722
where:
bonds (distance) C4'-P energy: -93.043
bonds (distance) P-C4' energy: -98.790
flat angles C4'-P-C4' energy: -111.014
flat angles P-C4'-P energy: -66.798
tors. eta vs tors. theta energy: -134.852
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: 8
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -1628.947603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.947603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.947603 (E_RNA)
where:
Base-Base interactions energy: -1176.418
where: short stacking energy: -484.783
Base-Backbone interact. energy: 4.566
local terms energy: -457.095288
where:
bonds (distance) C4'-P energy: -84.639
bonds (distance) P-C4' energy: -78.804
flat angles C4'-P-C4' energy: -105.092
flat angles P-C4'-P energy: -64.902
tors. eta vs tors. theta energy: -123.658
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: 5
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -1470.552016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.552016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.552016 (E_RNA)
where:
Base-Base interactions energy: -1036.087
where: short stacking energy: -435.488
Base-Backbone interact. energy: 0.622
local terms energy: -435.086483
where:
bonds (distance) C4'-P energy: -85.050
bonds (distance) P-C4' energy: -72.096
flat angles C4'-P-C4' energy: -98.519
flat angles P-C4'-P energy: -72.777
tors. eta vs tors. theta energy: -106.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -1403.592342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.592342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.592342 (E_RNA)
where:
Base-Base interactions energy: -974.151
where: short stacking energy: -405.379
Base-Backbone interact. energy: -1.889
local terms energy: -427.551442
where:
bonds (distance) C4'-P energy: -79.479
bonds (distance) P-C4' energy: -79.357
flat angles C4'-P-C4' energy: -97.430
flat angles P-C4'-P energy: -66.731
tors. eta vs tors. theta energy: -104.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -1365.840495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.840495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.840495 (E_RNA)
where:
Base-Base interactions energy: -952.324
where: short stacking energy: -391.448
Base-Backbone interact. energy: -3.313
local terms energy: -410.203411
where:
bonds (distance) C4'-P energy: -87.255
bonds (distance) P-C4' energy: -101.715
flat angles C4'-P-C4' energy: -98.423
flat angles P-C4'-P energy: -38.280
tors. eta vs tors. theta energy: -84.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -1223.109010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.109010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.109010 (E_RNA)
where:
Base-Base interactions energy: -848.048
where: short stacking energy: -356.773
Base-Backbone interact. energy: -1.228
local terms energy: -373.833709
where:
bonds (distance) C4'-P energy: -68.732
bonds (distance) P-C4' energy: -72.095
flat angles C4'-P-C4' energy: -102.873
flat angles P-C4'-P energy: -51.640
tors. eta vs tors. theta energy: -78.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -1007.340632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1007.340632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1007.340632 (E_RNA)
where:
Base-Base interactions energy: -638.910
where: short stacking energy: -273.302
Base-Backbone interact. energy: -0.804
local terms energy: -367.626083
where:
bonds (distance) C4'-P energy: -87.985
bonds (distance) P-C4' energy: -86.136
flat angles C4'-P-C4' energy: -76.353
flat angles P-C4'-P energy: -65.959
tors. eta vs tors. theta energy: -51.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -1937.964724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.964724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.964724 (E_RNA)
where:
Base-Base interactions energy: -1378.728
where: short stacking energy: -561.939
Base-Backbone interact. energy: -3.344
local terms energy: -555.892476
where:
bonds (distance) C4'-P energy: -94.465
bonds (distance) P-C4' energy: -100.042
flat angles C4'-P-C4' energy: -124.622
flat angles P-C4'-P energy: -80.020
tors. eta vs tors. theta energy: -156.743
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: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -1880.085069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.085069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.085069 (E_RNA)
where:
Base-Base interactions energy: -1312.238
where: short stacking energy: -524.110
Base-Backbone interact. energy: -2.455
local terms energy: -565.392068
where:
bonds (distance) C4'-P energy: -95.408
bonds (distance) P-C4' energy: -105.821
flat angles C4'-P-C4' energy: -123.166
flat angles P-C4'-P energy: -86.723
tors. eta vs tors. theta energy: -154.274
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: 56
Temperature: 1.000000
Total energy: -1800.378748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.378748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.378748 (E_RNA)
where:
Base-Base interactions energy: -1291.535
where: short stacking energy: -495.735
Base-Backbone interact. energy: -3.302
local terms energy: -505.541757
where:
bonds (distance) C4'-P energy: -109.885
bonds (distance) P-C4' energy: -88.852
flat angles C4'-P-C4' energy: -101.685
flat angles P-C4'-P energy: -75.808
tors. eta vs tors. theta energy: -129.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -1743.228164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.228164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.228164 (E_RNA)
where:
Base-Base interactions energy: -1245.596
where: short stacking energy: -500.100
Base-Backbone interact. energy: 1.163
local terms energy: -498.794925
where:
bonds (distance) C4'-P energy: -78.485
bonds (distance) P-C4' energy: -95.458
flat angles C4'-P-C4' energy: -110.222
flat angles P-C4'-P energy: -87.014
tors. eta vs tors. theta energy: -127.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -1651.517159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.517159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.517159 (E_RNA)
where:
Base-Base interactions energy: -1138.650
where: short stacking energy: -490.873
Base-Backbone interact. energy: -2.135
local terms energy: -510.732630
where:
bonds (distance) C4'-P energy: -97.546
bonds (distance) P-C4' energy: -91.762
flat angles C4'-P-C4' energy: -111.745
flat angles P-C4'-P energy: -80.994
tors. eta vs tors. theta energy: -128.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -1525.941637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.941637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.941637 (E_RNA)
where:
Base-Base interactions energy: -1062.621
where: short stacking energy: -459.061
Base-Backbone interact. energy: -2.344
local terms energy: -460.976880
where:
bonds (distance) C4'-P energy: -81.156
bonds (distance) P-C4' energy: -96.998
flat angles C4'-P-C4' energy: -91.998
flat angles P-C4'-P energy: -77.299
tors. eta vs tors. theta energy: -113.526
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: 9
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -1421.620169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.620169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.620169 (E_RNA)
where:
Base-Base interactions energy: -962.567
where: short stacking energy: -402.797
Base-Backbone interact. energy: -1.263
local terms energy: -457.789203
where:
bonds (distance) C4'-P energy: -89.120
bonds (distance) P-C4' energy: -107.731
flat angles C4'-P-C4' energy: -106.886
flat angles P-C4'-P energy: -58.827
tors. eta vs tors. theta energy: -95.225
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: 7
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -1323.484651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.484651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.484651 (E_RNA)
where:
Base-Base interactions energy: -911.375
where: short stacking energy: -396.150
Base-Backbone interact. energy: 0.891
local terms energy: -413.000360
where:
bonds (distance) C4'-P energy: -66.943
bonds (distance) P-C4' energy: -77.536
flat angles C4'-P-C4' energy: -110.688
flat angles P-C4'-P energy: -60.897
tors. eta vs tors. theta energy: -96.936
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: 6
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -1164.011322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1164.011322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1164.011322 (E_RNA)
where:
Base-Base interactions energy: -781.176
where: short stacking energy: -327.108
Base-Backbone interact. energy: -3.359
local terms energy: -379.476679
where:
bonds (distance) C4'-P energy: -83.504
bonds (distance) P-C4' energy: -88.176
flat angles C4'-P-C4' energy: -86.820
flat angles P-C4'-P energy: -49.766
tors. eta vs tors. theta energy: -71.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -980.421251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -980.421251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -980.421251 (E_RNA)
where:
Base-Base interactions energy: -657.457
where: short stacking energy: -276.625
Base-Backbone interact. energy: -1.889
local terms energy: -321.074771
where:
bonds (distance) C4'-P energy: -81.512
bonds (distance) P-C4' energy: -75.475
flat angles C4'-P-C4' energy: -68.137
flat angles P-C4'-P energy: -54.140
tors. eta vs tors. theta energy: -41.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -1959.672679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.672679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.672679 (E_RNA)
where:
Base-Base interactions energy: -1393.521
where: short stacking energy: -568.846
Base-Backbone interact. energy: -3.164
local terms energy: -562.987134
where:
bonds (distance) C4'-P energy: -111.520
bonds (distance) P-C4' energy: -100.661
flat angles C4'-P-C4' energy: -114.266
flat angles P-C4'-P energy: -88.682
tors. eta vs tors. theta energy: -147.858
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: 2, replica: 2
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -1886.272820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.272820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.272820 (E_RNA)
where:
Base-Base interactions energy: -1334.452
where: short stacking energy: -524.536
Base-Backbone interact. energy: -2.063
local terms energy: -549.756980
where:
bonds (distance) C4'-P energy: -93.661
bonds (distance) P-C4' energy: -104.649
flat angles C4'-P-C4' energy: -124.226
flat angles P-C4'-P energy: -75.985
tors. eta vs tors. theta energy: -151.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -1845.317076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1845.317076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1845.317076 (E_RNA)
where:
Base-Base interactions energy: -1344.162
where: short stacking energy: -526.504
Base-Backbone interact. energy: 2.047
local terms energy: -503.202534
where:
bonds (distance) C4'-P energy: -83.360
bonds (distance) P-C4' energy: -87.259
flat angles C4'-P-C4' energy: -111.260
flat angles P-C4'-P energy: -79.751
tors. eta vs tors. theta energy: -141.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -1774.821998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.821998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.821998 (E_RNA)
where:
Base-Base interactions energy: -1240.162
where: short stacking energy: -511.187
Base-Backbone interact. energy: -0.396
local terms energy: -534.264013
where:
bonds (distance) C4'-P energy: -92.973
bonds (distance) P-C4' energy: -100.142
flat angles C4'-P-C4' energy: -115.777
flat angles P-C4'-P energy: -78.444
tors. eta vs tors. theta energy: -146.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -1618.282519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.282519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.282519 (E_RNA)
where:
Base-Base interactions energy: -1145.984
where: short stacking energy: -460.559
Base-Backbone interact. energy: 0.567
local terms energy: -472.865960
where:
bonds (distance) C4'-P energy: -99.277
bonds (distance) P-C4' energy: -89.037
flat angles C4'-P-C4' energy: -116.428
flat angles P-C4'-P energy: -55.640
tors. eta vs tors. theta energy: -112.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -1501.622286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.622286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.622286 (E_RNA)
where:
Base-Base interactions energy: -1060.072
where: short stacking energy: -446.552
Base-Backbone interact. energy: -0.187
local terms energy: -441.362755
where:
bonds (distance) C4'-P energy: -78.282
bonds (distance) P-C4' energy: -92.374
flat angles C4'-P-C4' energy: -106.851
flat angles P-C4'-P energy: -60.734
tors. eta vs tors. theta energy: -103.122
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: 7, replica: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -1464.008582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.008582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.008582 (E_RNA)
where:
Base-Base interactions energy: -1017.427
where: short stacking energy: -412.569
Base-Backbone interact. energy: -2.289
local terms energy: -444.291945
where:
bonds (distance) C4'-P energy: -91.429
bonds (distance) P-C4' energy: -84.807
flat angles C4'-P-C4' energy: -109.500
flat angles P-C4'-P energy: -63.159
tors. eta vs tors. theta energy: -95.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -1332.589166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.589166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.589166 (E_RNA)
where:
Base-Base interactions energy: -937.975
where: short stacking energy: -379.596
Base-Backbone interact. energy: 1.677
local terms energy: -396.291176
where:
bonds (distance) C4'-P energy: -75.734
bonds (distance) P-C4' energy: -70.536
flat angles C4'-P-C4' energy: -86.218
flat angles P-C4'-P energy: -72.561
tors. eta vs tors. theta energy: -91.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -1184.884663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.884663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.884663 (E_RNA)
where:
Base-Base interactions energy: -843.318
where: short stacking energy: -357.404
Base-Backbone interact. energy: -2.749
local terms energy: -338.817523
where:
bonds (distance) C4'-P energy: -71.833
bonds (distance) P-C4' energy: -78.203
flat angles C4'-P-C4' energy: -70.461
flat angles P-C4'-P energy: -49.212
tors. eta vs tors. theta energy: -69.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -1013.417967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.417967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.417967 (E_RNA)
where:
Base-Base interactions energy: -664.530
where: short stacking energy: -282.108
Base-Backbone interact. energy: 2.282
local terms energy: -351.169892
where:
bonds (distance) C4'-P energy: -81.937
bonds (distance) P-C4' energy: -88.490
flat angles C4'-P-C4' energy: -77.242
flat angles P-C4'-P energy: -53.721
tors. eta vs tors. theta energy: -49.780
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: 1, replica: 1
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -1947.272468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.272468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.272468 (E_RNA)
where:
Base-Base interactions energy: -1405.976
where: short stacking energy: -573.328
Base-Backbone interact. energy: -3.201
local terms energy: -538.095981
where:
bonds (distance) C4'-P energy: -106.078
bonds (distance) P-C4' energy: -87.732
flat angles C4'-P-C4' energy: -120.101
flat angles P-C4'-P energy: -78.553
tors. eta vs tors. theta energy: -145.631
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: 58
Temperature: 0.950000
Total energy: -1870.124384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.124384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.124384 (E_RNA)
where:
Base-Base interactions energy: -1321.065
where: short stacking energy: -544.996
Base-Backbone interact. energy: -2.476
local terms energy: -546.583216
where:
bonds (distance) C4'-P energy: -102.329
bonds (distance) P-C4' energy: -92.946
flat angles C4'-P-C4' energy: -118.337
flat angles P-C4'-P energy: -77.660
tors. eta vs tors. theta energy: -155.312
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: 4
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -1871.918180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.918180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.918180 (E_RNA)
where:
Base-Base interactions energy: -1343.691
where: short stacking energy: -536.681
Base-Backbone interact. energy: 4.868
local terms energy: -533.094784
where:
bonds (distance) C4'-P energy: -89.020
bonds (distance) P-C4' energy: -87.638
flat angles C4'-P-C4' energy: -115.007
flat angles P-C4'-P energy: -90.930
tors. eta vs tors. theta energy: -150.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -1723.867598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.867598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.867598 (E_RNA)
where:
Base-Base interactions energy: -1222.425
where: short stacking energy: -523.699
Base-Backbone interact. energy: -2.552
local terms energy: -498.891298
where:
bonds (distance) C4'-P energy: -83.227
bonds (distance) P-C4' energy: -90.062
flat angles C4'-P-C4' energy: -110.327
flat angles P-C4'-P energy: -68.430
tors. eta vs tors. theta energy: -146.846
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: 5, replica: 8
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -1631.150188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.150188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.150188 (E_RNA)
where:
Base-Base interactions energy: -1178.860
where: short stacking energy: -471.727
Base-Backbone interact. energy: 1.907
local terms energy: -454.196550
where:
bonds (distance) C4'-P energy: -67.940
bonds (distance) P-C4' energy: -78.412
flat angles C4'-P-C4' energy: -107.139
flat angles P-C4'-P energy: -72.146
tors. eta vs tors. theta energy: -128.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -1481.051806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.051806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.051806 (E_RNA)
where:
Base-Base interactions energy: -1034.504
where: short stacking energy: -435.137
Base-Backbone interact. energy: -1.919
local terms energy: -444.629571
where:
bonds (distance) C4'-P energy: -81.107
bonds (distance) P-C4' energy: -92.042
flat angles C4'-P-C4' energy: -103.476
flat angles P-C4'-P energy: -59.097
tors. eta vs tors. theta energy: -108.908
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: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -1460.846030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.846030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.846030 (E_RNA)
where:
Base-Base interactions energy: -1015.460
where: short stacking energy: -433.319
Base-Backbone interact. energy: -1.412
local terms energy: -443.974259
where:
bonds (distance) C4'-P energy: -87.528
bonds (distance) P-C4' energy: -94.933
flat angles C4'-P-C4' energy: -86.695
flat angles P-C4'-P energy: -54.162
tors. eta vs tors. theta energy: -120.656
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: 7
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -1288.731218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.731218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.731218 (E_RNA)
where:
Base-Base interactions energy: -880.668
where: short stacking energy: -375.533
Base-Backbone interact. energy: -0.795
local terms energy: -407.267867
where:
bonds (distance) C4'-P energy: -81.742
bonds (distance) P-C4' energy: -76.602
flat angles C4'-P-C4' energy: -84.045
flat angles P-C4'-P energy: -64.957
tors. eta vs tors. theta energy: -99.922
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: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -1192.583747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.583747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.583747 (E_RNA)
where:
Base-Base interactions energy: -824.326
where: short stacking energy: -361.428
Base-Backbone interact. energy: -3.006
local terms energy: -365.252105
where:
bonds (distance) C4'-P energy: -67.642
bonds (distance) P-C4' energy: -63.012
flat angles C4'-P-C4' energy: -96.375
flat angles P-C4'-P energy: -48.036
tors. eta vs tors. theta energy: -90.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -960.815999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -960.815999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -960.815999 (E_RNA)
where:
Base-Base interactions energy: -671.966
where: short stacking energy: -283.684
Base-Backbone interact. energy: 1.114
local terms energy: -289.964021
where:
bonds (distance) C4'-P energy: -74.583
bonds (distance) P-C4' energy: -74.891
flat angles C4'-P-C4' energy: -73.964
flat angles P-C4'-P energy: -36.347
tors. eta vs tors. theta energy: -30.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -1916.255421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.255421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.255421 (E_RNA)
where:
Base-Base interactions energy: -1374.202
where: short stacking energy: -529.266
Base-Backbone interact. energy: -4.051
local terms energy: -538.002566
where:
bonds (distance) C4'-P energy: -109.931
bonds (distance) P-C4' energy: -108.416
flat angles C4'-P-C4' energy: -106.280
flat angles P-C4'-P energy: -70.409
tors. eta vs tors. theta energy: -142.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -1893.791342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.791342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.791342 (E_RNA)
where:
Base-Base interactions energy: -1359.989
where: short stacking energy: -548.357
Base-Backbone interact. energy: -1.037
local terms energy: -532.765923
where:
bonds (distance) C4'-P energy: -91.486
bonds (distance) P-C4' energy: -89.008
flat angles C4'-P-C4' energy: -120.097
flat angles P-C4'-P energy: -78.778
tors. eta vs tors. theta energy: -153.396
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: 4
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -1816.971751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.971751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.971751 (E_RNA)
where:
Base-Base interactions energy: -1306.265
where: short stacking energy: -512.795
Base-Backbone interact. energy: 3.662
local terms energy: -514.368560
where:
bonds (distance) C4'-P energy: -85.004
bonds (distance) P-C4' energy: -100.623
flat angles C4'-P-C4' energy: -116.408
flat angles P-C4'-P energy: -73.958
tors. eta vs tors. theta energy: -138.376
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: 59
Temperature: 1.050000
Total energy: -1747.281199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.281199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.281199 (E_RNA)
where:
Base-Base interactions energy: -1247.260
where: short stacking energy: -511.866
Base-Backbone interact. energy: -3.597
local terms energy: -496.424793
where:
bonds (distance) C4'-P energy: -89.962
bonds (distance) P-C4' energy: -93.030
flat angles C4'-P-C4' energy: -105.153
flat angles P-C4'-P energy: -73.560
tors. eta vs tors. theta energy: -134.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -1682.322944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.322944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.322944 (E_RNA)
where:
Base-Base interactions energy: -1200.048
where: short stacking energy: -481.380
Base-Backbone interact. energy: -0.670
local terms energy: -481.605084
where:
bonds (distance) C4'-P energy: -85.940
bonds (distance) P-C4' energy: -88.095
flat angles C4'-P-C4' energy: -109.710
flat angles P-C4'-P energy: -67.000
tors. eta vs tors. theta energy: -130.860
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: 9
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -1477.609393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.609393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.609393 (E_RNA)
where:
Base-Base interactions energy: -1035.380
where: short stacking energy: -453.591
Base-Backbone interact. energy: 1.342
local terms energy: -443.571778
where:
bonds (distance) C4'-P energy: -78.187
bonds (distance) P-C4' energy: -90.214
flat angles C4'-P-C4' energy: -97.295
flat angles P-C4'-P energy: -72.222
tors. eta vs tors. theta energy: -105.654
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: 7, replica: 5
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -1429.429850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.429850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.429850 (E_RNA)
where:
Base-Base interactions energy: -998.131
where: short stacking energy: -417.936
Base-Backbone interact. energy: -2.299
local terms energy: -429.000161
where:
bonds (distance) C4'-P energy: -88.039
bonds (distance) P-C4' energy: -89.316
flat angles C4'-P-C4' energy: -96.524
flat angles P-C4'-P energy: -59.554
tors. eta vs tors. theta energy: -95.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -1331.511967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.511967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.511967 (E_RNA)
where:
Base-Base interactions energy: -924.632
where: short stacking energy: -386.498
Base-Backbone interact. energy: -2.271
local terms energy: -404.608043
where:
bonds (distance) C4'-P energy: -78.422
bonds (distance) P-C4' energy: -95.761
flat angles C4'-P-C4' energy: -83.301
flat angles P-C4'-P energy: -49.866
tors. eta vs tors. theta energy: -97.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -1246.815280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1246.815280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1246.815280 (E_RNA)
where:
Base-Base interactions energy: -864.886
where: short stacking energy: -359.084
Base-Backbone interact. energy: -1.788
local terms energy: -380.140832
where:
bonds (distance) C4'-P energy: -80.479
bonds (distance) P-C4' energy: -83.146
flat angles C4'-P-C4' energy: -95.212
flat angles P-C4'-P energy: -54.415
tors. eta vs tors. theta energy: -66.890
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: 10, replica: 10
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -1022.006915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.006915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.006915 (E_RNA)
where:
Base-Base interactions energy: -670.762
where: short stacking energy: -283.624
Base-Backbone interact. energy: -0.775
local terms energy: -350.469641
where:
bonds (distance) C4'-P energy: -84.352
bonds (distance) P-C4' energy: -85.938
flat angles C4'-P-C4' energy: -84.990
flat angles P-C4'-P energy: -47.737
tors. eta vs tors. theta energy: -47.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -1961.827616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.827616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.827616 (E_RNA)
where:
Base-Base interactions energy: -1386.740
where: short stacking energy: -552.561
Base-Backbone interact. energy: -0.910
local terms energy: -574.178096
where:
bonds (distance) C4'-P energy: -107.536
bonds (distance) P-C4' energy: -107.460
flat angles C4'-P-C4' energy: -123.782
flat angles P-C4'-P energy: -82.708
tors. eta vs tors. theta energy: -152.691
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: 2
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -1899.717169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.717169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.717169 (E_RNA)
where:
Base-Base interactions energy: -1323.914
where: short stacking energy: -545.069
Base-Backbone interact. energy: 2.835
local terms energy: -578.638311
where:
bonds (distance) C4'-P energy: -106.510
bonds (distance) P-C4' energy: -102.053
flat angles C4'-P-C4' energy: -127.962
flat angles P-C4'-P energy: -87.208
tors. eta vs tors. theta energy: -154.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -1775.095595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.095595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.095595 (E_RNA)
where:
Base-Base interactions energy: -1238.107
where: short stacking energy: -518.469
Base-Backbone interact. energy: 1.356
local terms energy: -538.344966
where:
bonds (distance) C4'-P energy: -98.655
bonds (distance) P-C4' energy: -102.466
flat angles C4'-P-C4' energy: -113.525
flat angles P-C4'-P energy: -67.833
tors. eta vs tors. theta energy: -155.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -1795.048208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.048208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.048208 (E_RNA)
where:
Base-Base interactions energy: -1269.505
where: short stacking energy: -514.789
Base-Backbone interact. energy: -2.155
local terms energy: -523.388076
where:
bonds (distance) C4'-P energy: -86.473
bonds (distance) P-C4' energy: -105.223
flat angles C4'-P-C4' energy: -114.613
flat angles P-C4'-P energy: -82.084
tors. eta vs tors. theta energy: -134.995
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: 8
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -1652.492781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.492781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.492781 (E_RNA)
where:
Base-Base interactions energy: -1175.532
where: short stacking energy: -464.738
Base-Backbone interact. energy: -1.871
local terms energy: -475.090112
where:
bonds (distance) C4'-P energy: -74.144
bonds (distance) P-C4' energy: -95.331
flat angles C4'-P-C4' energy: -110.291
flat angles P-C4'-P energy: -68.160
tors. eta vs tors. theta energy: -127.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -1442.752064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.752064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.752064 (E_RNA)
where:
Base-Base interactions energy: -991.130
where: short stacking energy: -392.266
Base-Backbone interact. energy: -0.419
local terms energy: -451.203134
where:
bonds (distance) C4'-P energy: -90.708
bonds (distance) P-C4' energy: -79.825
flat angles C4'-P-C4' energy: -113.109
flat angles P-C4'-P energy: -63.814
tors. eta vs tors. theta energy: -103.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -1408.522375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.522375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.522375 (E_RNA)
where:
Base-Base interactions energy: -976.143
where: short stacking energy: -412.465
Base-Backbone interact. energy: 0.862
local terms energy: -433.241837
where:
bonds (distance) C4'-P energy: -99.428
bonds (distance) P-C4' energy: -83.783
flat angles C4'-P-C4' energy: -87.015
flat angles P-C4'-P energy: -70.048
tors. eta vs tors. theta energy: -92.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -1317.534274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.534274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.534274 (E_RNA)
where:
Base-Base interactions energy: -888.867
where: short stacking energy: -398.017
Base-Backbone interact. energy: -0.902
local terms energy: -427.765079
where:
bonds (distance) C4'-P energy: -93.689
bonds (distance) P-C4' energy: -78.548
flat angles C4'-P-C4' energy: -94.224
flat angles P-C4'-P energy: -64.551
tors. eta vs tors. theta energy: -96.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -1210.802332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.802332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.802332 (E_RNA)
where:
Base-Base interactions energy: -812.810
where: short stacking energy: -333.220
Base-Backbone interact. energy: -0.817
local terms energy: -397.174853
where:
bonds (distance) C4'-P energy: -85.978
bonds (distance) P-C4' energy: -70.420
flat angles C4'-P-C4' energy: -100.049
flat angles P-C4'-P energy: -62.587
tors. eta vs tors. theta energy: -78.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -978.731437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.731437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.731437 (E_RNA)
where:
Base-Base interactions energy: -685.751
where: short stacking energy: -286.767
Base-Backbone interact. energy: 4.642
local terms energy: -297.622924
where:
bonds (distance) C4'-P energy: -78.724
bonds (distance) P-C4' energy: -58.330
flat angles C4'-P-C4' energy: -72.540
flat angles P-C4'-P energy: -48.056
tors. eta vs tors. theta energy: -39.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -1925.806899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.806899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.806899 (E_RNA)
where:
Base-Base interactions energy: -1372.763
where: short stacking energy: -542.942
Base-Backbone interact. energy: -3.770
local terms energy: -549.273417
where:
bonds (distance) C4'-P energy: -96.578
bonds (distance) P-C4' energy: -111.654
flat angles C4'-P-C4' energy: -123.521
flat angles P-C4'-P energy: -73.602
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: 2, replica: 2
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -1860.843773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.843773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.843773 (E_RNA)
where:
Base-Base interactions energy: -1319.927
where: short stacking energy: -534.998
Base-Backbone interact. energy: 2.451
local terms energy: -543.367830
where:
bonds (distance) C4'-P energy: -93.431
bonds (distance) P-C4' energy: -105.173
flat angles C4'-P-C4' energy: -109.836
flat angles P-C4'-P energy: -83.649
tors. eta vs tors. theta energy: -151.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -1758.593367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.593367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.593367 (E_RNA)
where:
Base-Base interactions energy: -1241.724
where: short stacking energy: -510.665
Base-Backbone interact. energy: -1.132
local terms energy: -515.737565
where:
bonds (distance) C4'-P energy: -98.765
bonds (distance) P-C4' energy: -85.756
flat angles C4'-P-C4' energy: -117.581
flat angles P-C4'-P energy: -72.102
tors. eta vs tors. theta energy: -141.535
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: 4, replica: 4
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -1812.825567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.825567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.825567 (E_RNA)
where:
Base-Base interactions energy: -1310.458
where: short stacking energy: -514.645
Base-Backbone interact. energy: -0.235
local terms energy: -502.132221
where:
bonds (distance) C4'-P energy: -78.238
bonds (distance) P-C4' energy: -94.189
flat angles C4'-P-C4' energy: -121.014
flat angles P-C4'-P energy: -65.000
tors. eta vs tors. theta energy: -143.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -1645.823136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.823136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.823136 (E_RNA)
where:
Base-Base interactions energy: -1151.799
where: short stacking energy: -481.575
Base-Backbone interact. energy: 2.356
local terms energy: -496.380091
where:
bonds (distance) C4'-P energy: -79.822
bonds (distance) P-C4' energy: -103.046
flat angles C4'-P-C4' energy: -97.560
flat angles P-C4'-P energy: -78.720
tors. eta vs tors. theta energy: -137.231
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: 6, replica: 9
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -1447.542530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.542530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.542530 (E_RNA)
where:
Base-Base interactions energy: -965.908
where: short stacking energy: -402.883
Base-Backbone interact. energy: 2.324
local terms energy: -483.958384
where:
bonds (distance) C4'-P energy: -106.066
bonds (distance) P-C4' energy: -104.929
flat angles C4'-P-C4' energy: -113.479
flat angles P-C4'-P energy: -55.823
tors. eta vs tors. theta energy: -103.661
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: 5
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -1418.802554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.802554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.802554 (E_RNA)
where:
Base-Base interactions energy: -1009.742
where: short stacking energy: -426.366
Base-Backbone interact. energy: -1.099
local terms energy: -407.961309
where:
bonds (distance) C4'-P energy: -66.325
bonds (distance) P-C4' energy: -95.020
flat angles C4'-P-C4' energy: -91.695
flat angles P-C4'-P energy: -60.253
tors. eta vs tors. theta energy: -94.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -1340.559333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.559333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.559333 (E_RNA)
where:
Base-Base interactions energy: -910.456
where: short stacking energy: -388.869
Base-Backbone interact. energy: 2.131
local terms energy: -432.233410
where:
bonds (distance) C4'-P energy: -80.337
bonds (distance) P-C4' energy: -98.454
flat angles C4'-P-C4' energy: -101.705
flat angles P-C4'-P energy: -56.462
tors. eta vs tors. theta energy: -95.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -1143.961121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.961121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.961121 (E_RNA)
where:
Base-Base interactions energy: -755.550
where: short stacking energy: -307.732
Base-Backbone interact. energy: -3.758
local terms energy: -384.654069
where:
bonds (distance) C4'-P energy: -76.907
bonds (distance) P-C4' energy: -80.510
flat angles C4'-P-C4' energy: -98.390
flat angles P-C4'-P energy: -56.481
tors. eta vs tors. theta energy: -72.366
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: 10
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -955.393044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.393044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.393044 (E_RNA)
where:
Base-Base interactions energy: -645.254
where: short stacking energy: -271.821
Base-Backbone interact. energy: 1.568
local terms energy: -311.707838
where:
bonds (distance) C4'-P energy: -87.998
bonds (distance) P-C4' energy: -70.877
flat angles C4'-P-C4' energy: -81.991
flat angles P-C4'-P energy: -44.748
tors. eta vs tors. theta energy: -26.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -1950.264173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.264173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.264173 (E_RNA)
where:
Base-Base interactions energy: -1384.771
where: short stacking energy: -547.034
Base-Backbone interact. energy: 0.577
local terms energy: -566.070172
where:
bonds (distance) C4'-P energy: -101.843
bonds (distance) P-C4' energy: -102.500
flat angles C4'-P-C4' energy: -116.984
flat angles P-C4'-P energy: -82.699
tors. eta vs tors. theta energy: -162.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -1872.633236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.633236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.633236 (E_RNA)
where:
Base-Base interactions energy: -1339.707
where: short stacking energy: -543.294
Base-Backbone interact. energy: 3.137
local terms energy: -536.062526
where:
bonds (distance) C4'-P energy: -93.929
bonds (distance) P-C4' energy: -97.566
flat angles C4'-P-C4' energy: -117.175
flat angles P-C4'-P energy: -81.879
tors. eta vs tors. theta energy: -145.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -1787.849047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.849047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.849047 (E_RNA)
where:
Base-Base interactions energy: -1298.040
where: short stacking energy: -504.988
Base-Backbone interact. energy: -3.165
local terms energy: -486.644181
where:
bonds (distance) C4'-P energy: -83.463
bonds (distance) P-C4' energy: -86.421
flat angles C4'-P-C4' energy: -113.406
flat angles P-C4'-P energy: -65.477
tors. eta vs tors. theta energy: -137.878
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: 62
Temperature: 1.050000
Total energy: -1716.421470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.421470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.421470 (E_RNA)
where:
Base-Base interactions energy: -1226.417
where: short stacking energy: -499.310
Base-Backbone interact. energy: -2.322
local terms energy: -487.682270
where:
bonds (distance) C4'-P energy: -88.406
bonds (distance) P-C4' energy: -85.745
flat angles C4'-P-C4' energy: -105.385
flat angles P-C4'-P energy: -80.308
tors. eta vs tors. theta energy: -127.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -1670.981507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.981507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.981507 (E_RNA)
where:
Base-Base interactions energy: -1181.195
where: short stacking energy: -476.706
Base-Backbone interact. energy: -2.070
local terms energy: -487.716670
where:
bonds (distance) C4'-P energy: -80.392
bonds (distance) P-C4' energy: -95.622
flat angles C4'-P-C4' energy: -111.790
flat angles P-C4'-P energy: -68.142
tors. eta vs tors. theta energy: -131.771
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: 9
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -1504.519261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.519261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.519261 (E_RNA)
where:
Base-Base interactions energy: -1065.905
where: short stacking energy: -446.255
Base-Backbone interact. energy: 6.475
local terms energy: -445.088846
where:
bonds (distance) C4'-P energy: -90.219
bonds (distance) P-C4' energy: -92.591
flat angles C4'-P-C4' energy: -80.671
flat angles P-C4'-P energy: -68.319
tors. eta vs tors. theta energy: -113.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -1432.663448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.663448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.663448 (E_RNA)
where:
Base-Base interactions energy: -990.339
where: short stacking energy: -414.115
Base-Backbone interact. energy: -1.597
local terms energy: -440.728343
where:
bonds (distance) C4'-P energy: -86.574
bonds (distance) P-C4' energy: -94.890
flat angles C4'-P-C4' energy: -91.433
flat angles P-C4'-P energy: -60.704
tors. eta vs tors. theta energy: -107.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -1388.397178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.397178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.397178 (E_RNA)
where:
Base-Base interactions energy: -956.031
where: short stacking energy: -382.413
Base-Backbone interact. energy: -1.434
local terms energy: -430.932366
where:
bonds (distance) C4'-P energy: -82.724
bonds (distance) P-C4' energy: -103.421
flat angles C4'-P-C4' energy: -95.745
flat angles P-C4'-P energy: -59.477
tors. eta vs tors. theta energy: -89.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -1140.674015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.674015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.674015 (E_RNA)
where:
Base-Base interactions energy: -782.366
where: short stacking energy: -319.153
Base-Backbone interact. energy: -1.342
local terms energy: -356.966636
where:
bonds (distance) C4'-P energy: -79.346
bonds (distance) P-C4' energy: -84.529
flat angles C4'-P-C4' energy: -87.407
flat angles P-C4'-P energy: -48.249
tors. eta vs tors. theta energy: -57.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -975.567879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -975.567879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -975.567879 (E_RNA)
where:
Base-Base interactions energy: -653.421
where: short stacking energy: -279.999
Base-Backbone interact. energy: -1.795
local terms energy: -320.352177
where:
bonds (distance) C4'-P energy: -70.723
bonds (distance) P-C4' energy: -87.212
flat angles C4'-P-C4' energy: -84.470
flat angles P-C4'-P energy: -49.861
tors. eta vs tors. theta energy: -28.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -1923.772017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.772017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.772017 (E_RNA)
where:
Base-Base interactions energy: -1369.160
where: short stacking energy: -548.125
Base-Backbone interact. energy: -1.761
local terms energy: -552.850497
where:
bonds (distance) C4'-P energy: -95.099
bonds (distance) P-C4' energy: -99.452
flat angles C4'-P-C4' energy: -117.242
flat angles P-C4'-P energy: -86.232
tors. eta vs tors. theta energy: -154.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -1896.918673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.918673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.918673 (E_RNA)
where:
Base-Base interactions energy: -1351.858
where: short stacking energy: -559.275
Base-Backbone interact. energy: -1.206
local terms energy: -543.854735
where:
bonds (distance) C4'-P energy: -93.051
bonds (distance) P-C4' energy: -96.723
flat angles C4'-P-C4' energy: -119.004
flat angles P-C4'-P energy: -77.677
tors. eta vs tors. theta energy: -157.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -1796.907182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.907182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.907182 (E_RNA)
where:
Base-Base interactions energy: -1298.589
where: short stacking energy: -507.248
Base-Backbone interact. energy: -2.382
local terms energy: -495.936466
where:
bonds (distance) C4'-P energy: -99.612
bonds (distance) P-C4' energy: -85.821
flat angles C4'-P-C4' energy: -100.333
flat angles P-C4'-P energy: -69.687
tors. eta vs tors. theta energy: -140.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -1689.678421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.678421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.678421 (E_RNA)
where:
Base-Base interactions energy: -1175.434
where: short stacking energy: -479.401
Base-Backbone interact. energy: -2.494
local terms energy: -511.750855
where:
bonds (distance) C4'-P energy: -90.143
bonds (distance) P-C4' energy: -107.468
flat angles C4'-P-C4' energy: -112.530
flat angles P-C4'-P energy: -67.981
tors. eta vs tors. theta energy: -133.630
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: 8
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -1665.587914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.587914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.587914 (E_RNA)
where:
Base-Base interactions energy: -1180.842
where: short stacking energy: -471.202
Base-Backbone interact. energy: -3.111
local terms energy: -481.635199
where:
bonds (distance) C4'-P energy: -96.389
bonds (distance) P-C4' energy: -88.840
flat angles C4'-P-C4' energy: -111.168
flat angles P-C4'-P energy: -57.456
tors. eta vs tors. theta energy: -127.782
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: 6, replica: 9
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -1462.526238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.526238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.526238 (E_RNA)
where:
Base-Base interactions energy: -1020.060
where: short stacking energy: -433.144
Base-Backbone interact. energy: -2.882
local terms energy: -439.585041
where:
bonds (distance) C4'-P energy: -88.997
bonds (distance) P-C4' energy: -86.177
flat angles C4'-P-C4' energy: -102.070
flat angles P-C4'-P energy: -57.948
tors. eta vs tors. theta energy: -104.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -1378.695717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.695717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.695717 (E_RNA)
where:
Base-Base interactions energy: -962.543
where: short stacking energy: -401.912
Base-Backbone interact. energy: -0.950
local terms energy: -415.202776
where:
bonds (distance) C4'-P energy: -93.941
bonds (distance) P-C4' energy: -89.419
flat angles C4'-P-C4' energy: -87.046
flat angles P-C4'-P energy: -58.553
tors. eta vs tors. theta energy: -86.244
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: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -1395.436420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.436420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.436420 (E_RNA)
where:
Base-Base interactions energy: -989.023
where: short stacking energy: -397.518
Base-Backbone interact. energy: 0.555
local terms energy: -406.968656
where:
bonds (distance) C4'-P energy: -87.158
bonds (distance) P-C4' energy: -97.427
flat angles C4'-P-C4' energy: -83.058
flat angles P-C4'-P energy: -46.159
tors. eta vs tors. theta energy: -93.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -1151.383389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1151.383389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1151.383389 (E_RNA)
where:
Base-Base interactions energy: -786.856
where: short stacking energy: -332.458
Base-Backbone interact. energy: -0.608
local terms energy: -363.918815
where:
bonds (distance) C4'-P energy: -91.093
bonds (distance) P-C4' energy: -72.777
flat angles C4'-P-C4' energy: -82.043
flat angles P-C4'-P energy: -60.709
tors. eta vs tors. theta energy: -57.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -989.285829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.285829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.285829 (E_RNA)
where:
Base-Base interactions energy: -670.150
where: short stacking energy: -278.158
Base-Backbone interact. energy: -1.620
local terms energy: -317.516123
where:
bonds (distance) C4'-P energy: -86.337
bonds (distance) P-C4' energy: -65.253
flat angles C4'-P-C4' energy: -74.107
flat angles P-C4'-P energy: -44.775
tors. eta vs tors. theta energy: -47.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -1952.746501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.746501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.746501 (E_RNA)
where:
Base-Base interactions energy: -1387.640
where: short stacking energy: -571.546
Base-Backbone interact. energy: -3.235
local terms energy: -561.871972
where:
bonds (distance) C4'-P energy: -112.895
bonds (distance) P-C4' energy: -98.893
flat angles C4'-P-C4' energy: -118.178
flat angles P-C4'-P energy: -72.144
tors. eta vs tors. theta energy: -159.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -1906.299839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.299839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.299839 (E_RNA)
where:
Base-Base interactions energy: -1345.505
where: short stacking energy: -523.710
Base-Backbone interact. energy: 2.483
local terms energy: -563.277799
where:
bonds (distance) C4'-P energy: -99.201
bonds (distance) P-C4' energy: -114.980
flat angles C4'-P-C4' energy: -124.572
flat angles P-C4'-P energy: -77.670
tors. eta vs tors. theta energy: -146.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -1816.916140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.916140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.916140 (E_RNA)
where:
Base-Base interactions energy: -1283.456
where: short stacking energy: -500.987
Base-Backbone interact. energy: -3.584
local terms energy: -529.876284
where:
bonds (distance) C4'-P energy: -104.261
bonds (distance) P-C4' energy: -104.577
flat angles C4'-P-C4' energy: -103.628
flat angles P-C4'-P energy: -73.961
tors. eta vs tors. theta energy: -143.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -1725.574285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.574285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.574285 (E_RNA)
where:
Base-Base interactions energy: -1223.138
where: short stacking energy: -492.352
Base-Backbone interact. energy: -3.107
local terms energy: -499.328596
where:
bonds (distance) C4'-P energy: -91.050
bonds (distance) P-C4' energy: -87.816
flat angles C4'-P-C4' energy: -115.513
flat angles P-C4'-P energy: -68.821
tors. eta vs tors. theta energy: -136.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -1631.798969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.798969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.798969 (E_RNA)
where:
Base-Base interactions energy: -1163.831
where: short stacking energy: -466.116
Base-Backbone interact. energy: -3.422
local terms energy: -464.546235
where:
bonds (distance) C4'-P energy: -93.122
bonds (distance) P-C4' energy: -94.056
flat angles C4'-P-C4' energy: -97.959
flat angles P-C4'-P energy: -60.836
tors. eta vs tors. theta energy: -118.574
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: 6, replica: 9
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -1472.746802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.746802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.746802 (E_RNA)
where:
Base-Base interactions energy: -1011.406
where: short stacking energy: -421.415
Base-Backbone interact. energy: -1.576
local terms energy: -459.765232
where:
bonds (distance) C4'-P energy: -94.614
bonds (distance) P-C4' energy: -82.866
flat angles C4'-P-C4' energy: -104.407
flat angles P-C4'-P energy: -60.701
tors. eta vs tors. theta energy: -117.177
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: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -1423.957365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.957365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.957365 (E_RNA)
where:
Base-Base interactions energy: -985.140
where: short stacking energy: -391.609
Base-Backbone interact. energy: -1.950
local terms energy: -436.866984
where:
bonds (distance) C4'-P energy: -89.218
bonds (distance) P-C4' energy: -93.508
flat angles C4'-P-C4' energy: -89.149
flat angles P-C4'-P energy: -68.043
tors. eta vs tors. theta energy: -96.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -1362.420820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.420820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.420820 (E_RNA)
where:
Base-Base interactions energy: -933.525
where: short stacking energy: -408.431
Base-Backbone interact. energy: 1.704
local terms energy: -430.599882
where:
bonds (distance) C4'-P energy: -81.061
bonds (distance) P-C4' energy: -88.119
flat angles C4'-P-C4' energy: -100.871
flat angles P-C4'-P energy: -57.001
tors. eta vs tors. theta energy: -103.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -1086.022815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.022815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.022815 (E_RNA)
where:
Base-Base interactions energy: -714.725
where: short stacking energy: -276.649
Base-Backbone interact. energy: 5.190
local terms energy: -376.488035
where:
bonds (distance) C4'-P energy: -94.210
bonds (distance) P-C4' energy: -89.788
flat angles C4'-P-C4' energy: -70.792
flat angles P-C4'-P energy: -71.567
tors. eta vs tors. theta energy: -50.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -1011.375622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.375622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.375622 (E_RNA)
where:
Base-Base interactions energy: -656.499
where: short stacking energy: -263.736
Base-Backbone interact. energy: -2.640
local terms energy: -352.236731
where:
bonds (distance) C4'-P energy: -63.850
bonds (distance) P-C4' energy: -96.829
flat angles C4'-P-C4' energy: -104.407
flat angles P-C4'-P energy: -48.220
tors. eta vs tors. theta energy: -38.931
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: 1, replica: 1
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -1945.266705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.266705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.266705 (E_RNA)
where:
Base-Base interactions energy: -1388.446
where: short stacking energy: -568.573
Base-Backbone interact. energy: -0.082
local terms energy: -556.738552
where:
bonds (distance) C4'-P energy: -98.478
bonds (distance) P-C4' energy: -109.921
flat angles C4'-P-C4' energy: -110.697
flat angles P-C4'-P energy: -78.367
tors. eta vs tors. theta energy: -159.276
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: 2
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -1875.283318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.283318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.283318 (E_RNA)
where:
Base-Base interactions energy: -1317.505
where: short stacking energy: -532.607
Base-Backbone interact. energy: -1.992
local terms energy: -555.785900
where:
bonds (distance) C4'-P energy: -98.931
bonds (distance) P-C4' energy: -101.257
flat angles C4'-P-C4' energy: -120.351
flat angles P-C4'-P energy: -92.566
tors. eta vs tors. theta energy: -142.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -1831.090845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.090845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.090845 (E_RNA)
where:
Base-Base interactions energy: -1300.225
where: short stacking energy: -538.868
Base-Backbone interact. energy: -2.820
local terms energy: -528.045237
where:
bonds (distance) C4'-P energy: -98.539
bonds (distance) P-C4' energy: -92.995
flat angles C4'-P-C4' energy: -117.779
flat angles P-C4'-P energy: -70.409
tors. eta vs tors. theta energy: -148.323
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: 3
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -1772.746358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.746358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.746358 (E_RNA)
where:
Base-Base interactions energy: -1250.941
where: short stacking energy: -508.633
Base-Backbone interact. energy: -3.743
local terms energy: -518.062058
where:
bonds (distance) C4'-P energy: -98.025
bonds (distance) P-C4' energy: -104.647
flat angles C4'-P-C4' energy: -103.904
flat angles P-C4'-P energy: -70.324
tors. eta vs tors. theta energy: -141.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -1636.246629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.246629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.246629 (E_RNA)
where:
Base-Base interactions energy: -1161.460
where: short stacking energy: -454.468
Base-Backbone interact. energy: 4.189
local terms energy: -478.975939
where:
bonds (distance) C4'-P energy: -88.596
bonds (distance) P-C4' energy: -97.941
flat angles C4'-P-C4' energy: -108.307
flat angles P-C4'-P energy: -75.223
tors. eta vs tors. theta energy: -108.908
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: 6, replica: 9
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -1447.011819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.011819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.011819 (E_RNA)
where:
Base-Base interactions energy: -1012.239
where: short stacking energy: -448.376
Base-Backbone interact. energy: -3.485
local terms energy: -431.287180
where:
bonds (distance) C4'-P energy: -80.030
bonds (distance) P-C4' energy: -92.300
flat angles C4'-P-C4' energy: -93.950
flat angles P-C4'-P energy: -66.657
tors. eta vs tors. theta energy: -98.350
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: 5
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -1426.310543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.310543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.310543 (E_RNA)
where:
Base-Base interactions energy: -987.028
where: short stacking energy: -409.523
Base-Backbone interact. energy: 0.205
local terms energy: -439.487934
where:
bonds (distance) C4'-P energy: -90.560
bonds (distance) P-C4' energy: -92.360
flat angles C4'-P-C4' energy: -107.707
flat angles P-C4'-P energy: -53.481
tors. eta vs tors. theta energy: -95.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -1370.537106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.537106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.537106 (E_RNA)
where:
Base-Base interactions energy: -927.554
where: short stacking energy: -401.283
Base-Backbone interact. energy: -0.678
local terms energy: -442.304925
where:
bonds (distance) C4'-P energy: -85.818
bonds (distance) P-C4' energy: -98.666
flat angles C4'-P-C4' energy: -98.584
flat angles P-C4'-P energy: -67.039
tors. eta vs tors. theta energy: -92.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -1086.328611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.328611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.328611 (E_RNA)
where:
Base-Base interactions energy: -721.478
where: short stacking energy: -293.619
Base-Backbone interact. energy: -2.794
local terms energy: -362.056293
where:
bonds (distance) C4'-P energy: -84.969
bonds (distance) P-C4' energy: -79.112
flat angles C4'-P-C4' energy: -85.039
flat angles P-C4'-P energy: -58.200
tors. eta vs tors. theta energy: -54.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -972.382852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.382852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.382852 (E_RNA)
where:
Base-Base interactions energy: -635.316
where: short stacking energy: -266.782
Base-Backbone interact. energy: -2.693
local terms energy: -334.373709
where:
bonds (distance) C4'-P energy: -71.648
bonds (distance) P-C4' energy: -96.705
flat angles C4'-P-C4' energy: -82.193
flat angles P-C4'-P energy: -50.432
tors. eta vs tors. theta energy: -33.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -1939.055333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.055333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.055333 (E_RNA)
where:
Base-Base interactions energy: -1394.938
where: short stacking energy: -559.361
Base-Backbone interact. energy: 0.134
local terms energy: -544.251240
where:
bonds (distance) C4'-P energy: -94.203
bonds (distance) P-C4' energy: -103.727
flat angles C4'-P-C4' energy: -111.560
flat angles P-C4'-P energy: -79.100
tors. eta vs tors. theta energy: -155.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -1886.681773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.681773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.681773 (E_RNA)
where:
Base-Base interactions energy: -1341.197
where: short stacking energy: -538.015
Base-Backbone interact. energy: 2.303
local terms energy: -547.788169
where:
bonds (distance) C4'-P energy: -87.033
bonds (distance) P-C4' energy: -109.972
flat angles C4'-P-C4' energy: -113.753
flat angles P-C4'-P energy: -85.457
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: 3, replica: 3
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -1808.085177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.085177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.085177 (E_RNA)
where:
Base-Base interactions energy: -1279.009
where: short stacking energy: -532.743
Base-Backbone interact. energy: -1.590
local terms energy: -527.486303
where:
bonds (distance) C4'-P energy: -87.644
bonds (distance) P-C4' energy: -103.487
flat angles C4'-P-C4' energy: -110.140
flat angles P-C4'-P energy: -77.516
tors. eta vs tors. theta energy: -148.699
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: 4
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -1826.285776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.285776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.285776 (E_RNA)
where:
Base-Base interactions energy: -1295.512
where: short stacking energy: -521.398
Base-Backbone interact. energy: 5.642
local terms energy: -536.416086
where:
bonds (distance) C4'-P energy: -87.476
bonds (distance) P-C4' energy: -100.274
flat angles C4'-P-C4' energy: -115.810
flat angles P-C4'-P energy: -88.008
tors. eta vs tors. theta energy: -144.848
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: 8
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -1632.804941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.804941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.804941 (E_RNA)
where:
Base-Base interactions energy: -1160.123
where: short stacking energy: -461.929
Base-Backbone interact. energy: 4.666
local terms energy: -477.348759
where:
bonds (distance) C4'-P energy: -96.205
bonds (distance) P-C4' energy: -82.932
flat angles C4'-P-C4' energy: -106.579
flat angles P-C4'-P energy: -69.401
tors. eta vs tors. theta energy: -122.231
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: 6, replica: 9
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -1416.147319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.147319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.147319 (E_RNA)
where:
Base-Base interactions energy: -977.906
where: short stacking energy: -402.343
Base-Backbone interact. energy: -1.526
local terms energy: -436.715357
where:
bonds (distance) C4'-P energy: -76.522
bonds (distance) P-C4' energy: -97.487
flat angles C4'-P-C4' energy: -99.924
flat angles P-C4'-P energy: -67.649
tors. eta vs tors. theta energy: -95.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -1351.625408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.625408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.625408 (E_RNA)
where:
Base-Base interactions energy: -914.042
where: short stacking energy: -391.684
Base-Backbone interact. energy: -2.044
local terms energy: -435.539293
where:
bonds (distance) C4'-P energy: -90.084
bonds (distance) P-C4' energy: -93.622
flat angles C4'-P-C4' energy: -102.664
flat angles P-C4'-P energy: -51.621
tors. eta vs tors. theta energy: -97.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -1369.258514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.258514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.258514 (E_RNA)
where:
Base-Base interactions energy: -949.118
where: short stacking energy: -392.430
Base-Backbone interact. energy: 2.147
local terms energy: -422.287547
where:
bonds (distance) C4'-P energy: -86.411
bonds (distance) P-C4' energy: -97.163
flat angles C4'-P-C4' energy: -88.039
flat angles P-C4'-P energy: -67.211
tors. eta vs tors. theta energy: -83.464
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: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -1126.571460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.571460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.571460 (E_RNA)
where:
Base-Base interactions energy: -755.300
where: short stacking energy: -333.623
Base-Backbone interact. energy: -4.856
local terms energy: -366.415217
where:
bonds (distance) C4'-P energy: -83.797
bonds (distance) P-C4' energy: -89.519
flat angles C4'-P-C4' energy: -76.755
flat angles P-C4'-P energy: -62.787
tors. eta vs tors. theta energy: -53.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -1004.871218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.871218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.871218 (E_RNA)
where:
Base-Base interactions energy: -654.679
where: short stacking energy: -291.028
Base-Backbone interact. energy: -3.640
local terms energy: -346.552327
where:
bonds (distance) C4'-P energy: -66.440
bonds (distance) P-C4' energy: -81.754
flat angles C4'-P-C4' energy: -100.447
flat angles P-C4'-P energy: -46.216
tors. eta vs tors. theta energy: -51.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -1953.252085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.252085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.252085 (E_RNA)
where:
Base-Base interactions energy: -1385.080
where: short stacking energy: -551.692
Base-Backbone interact. energy: -2.512
local terms energy: -565.660697
where:
bonds (distance) C4'-P energy: -99.305
bonds (distance) P-C4' energy: -110.019
flat angles C4'-P-C4' energy: -116.239
flat angles P-C4'-P energy: -86.495
tors. eta vs tors. theta energy: -153.603
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: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -1920.376546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.376546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.376546 (E_RNA)
where:
Base-Base interactions energy: -1356.076
where: short stacking energy: -544.782
Base-Backbone interact. energy: 3.530
local terms energy: -567.831131
where:
bonds (distance) C4'-P energy: -102.244
bonds (distance) P-C4' energy: -108.328
flat angles C4'-P-C4' energy: -124.735
flat angles P-C4'-P energy: -81.351
tors. eta vs tors. theta energy: -151.173
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: 3, replica: 3
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -1822.852430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.852430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.852430 (E_RNA)
where:
Base-Base interactions energy: -1284.347
where: short stacking energy: -524.105
Base-Backbone interact. energy: 10.676
local terms energy: -549.181268
where:
bonds (distance) C4'-P energy: -91.494
bonds (distance) P-C4' energy: -99.042
flat angles C4'-P-C4' energy: -118.087
flat angles P-C4'-P energy: -86.021
tors. eta vs tors. theta energy: -154.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -1810.843288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.843288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.843288 (E_RNA)
where:
Base-Base interactions energy: -1294.640
where: short stacking energy: -526.338
Base-Backbone interact. energy: 2.187
local terms energy: -518.390087
where:
bonds (distance) C4'-P energy: -90.012
bonds (distance) P-C4' energy: -99.021
flat angles C4'-P-C4' energy: -118.704
flat angles P-C4'-P energy: -73.363
tors. eta vs tors. theta energy: -137.289
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: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -1684.748776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.748776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.748776 (E_RNA)
where:
Base-Base interactions energy: -1198.688
where: short stacking energy: -502.206
Base-Backbone interact. energy: -1.444
local terms energy: -484.616140
where:
bonds (distance) C4'-P energy: -91.285
bonds (distance) P-C4' energy: -89.833
flat angles C4'-P-C4' energy: -103.837
flat angles P-C4'-P energy: -66.506
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: 6, replica: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -1444.357435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.357435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.357435 (E_RNA)
where:
Base-Base interactions energy: -997.534
where: short stacking energy: -428.232
Base-Backbone interact. energy: -2.120
local terms energy: -444.702851
where:
bonds (distance) C4'-P energy: -87.128
bonds (distance) P-C4' energy: -89.781
flat angles C4'-P-C4' energy: -99.709
flat angles P-C4'-P energy: -62.495
tors. eta vs tors. theta energy: -105.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -1416.018223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.018223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.018223 (E_RNA)
where:
Base-Base interactions energy: -978.052
where: short stacking energy: -425.963
Base-Backbone interact. energy: -1.287
local terms energy: -436.679044
where:
bonds (distance) C4'-P energy: -80.495
bonds (distance) P-C4' energy: -82.759
flat angles C4'-P-C4' energy: -99.353
flat angles P-C4'-P energy: -68.112
tors. eta vs tors. theta energy: -105.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -1375.843803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.843803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.843803 (E_RNA)
where:
Base-Base interactions energy: -951.250
where: short stacking energy: -396.822
Base-Backbone interact. energy: -2.864
local terms energy: -421.729261
where:
bonds (distance) C4'-P energy: -85.709
bonds (distance) P-C4' energy: -90.795
flat angles C4'-P-C4' energy: -94.907
flat angles P-C4'-P energy: -61.811
tors. eta vs tors. theta energy: -88.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -1168.356493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.356493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.356493 (E_RNA)
where:
Base-Base interactions energy: -783.937
where: short stacking energy: -318.937
Base-Backbone interact. energy: -1.825
local terms energy: -382.594432
where:
bonds (distance) C4'-P energy: -76.962
bonds (distance) P-C4' energy: -86.850
flat angles C4'-P-C4' energy: -79.118
flat angles P-C4'-P energy: -71.931
tors. eta vs tors. theta energy: -67.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -1039.227068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.227068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.227068 (E_RNA)
where:
Base-Base interactions energy: -694.924
where: short stacking energy: -304.349
Base-Backbone interact. energy: 1.480
local terms energy: -345.782580
where:
bonds (distance) C4'-P energy: -68.267
bonds (distance) P-C4' energy: -89.159
flat angles C4'-P-C4' energy: -85.101
flat angles P-C4'-P energy: -49.115
tors. eta vs tors. theta energy: -54.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -1946.444789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.444789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.444789 (E_RNA)
where:
Base-Base interactions energy: -1381.668
where: short stacking energy: -557.061
Base-Backbone interact. energy: -3.284
local terms energy: -561.492612
where:
bonds (distance) C4'-P energy: -97.460
bonds (distance) P-C4' energy: -109.612
flat angles C4'-P-C4' energy: -118.868
flat angles P-C4'-P energy: -76.996
tors. eta vs tors. theta energy: -158.557
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: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -1898.461434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.461434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.461434 (E_RNA)
where:
Base-Base interactions energy: -1355.937
where: short stacking energy: -540.362
Base-Backbone interact. energy: 0.853
local terms energy: -543.377573
where:
bonds (distance) C4'-P energy: -102.923
bonds (distance) P-C4' energy: -97.096
flat angles C4'-P-C4' energy: -121.554
flat angles P-C4'-P energy: -71.318
tors. eta vs tors. theta energy: -150.487
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: 68
Temperature: 1.000000
Total energy: -1806.523243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.523243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.523243 (E_RNA)
where:
Base-Base interactions energy: -1285.664
where: short stacking energy: -519.224
Base-Backbone interact. energy: -0.623
local terms energy: -520.235504
where:
bonds (distance) C4'-P energy: -84.970
bonds (distance) P-C4' energy: -102.167
flat angles C4'-P-C4' energy: -122.147
flat angles P-C4'-P energy: -69.269
tors. eta vs tors. theta energy: -141.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -1772.948934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.948934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.948934 (E_RNA)
where:
Base-Base interactions energy: -1275.856
where: short stacking energy: -525.171
Base-Backbone interact. energy: 2.406
local terms energy: -499.499844
where:
bonds (distance) C4'-P energy: -84.580
bonds (distance) P-C4' energy: -98.226
flat angles C4'-P-C4' energy: -101.026
flat angles P-C4'-P energy: -74.731
tors. eta vs tors. theta energy: -140.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -1633.669053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.669053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.669053 (E_RNA)
where:
Base-Base interactions energy: -1163.250
where: short stacking energy: -474.998
Base-Backbone interact. energy: -3.583
local terms energy: -466.835643
where:
bonds (distance) C4'-P energy: -86.045
bonds (distance) P-C4' energy: -95.997
flat angles C4'-P-C4' energy: -100.324
flat angles P-C4'-P energy: -63.938
tors. eta vs tors. theta energy: -120.532
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: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -1492.658056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.658056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.658056 (E_RNA)
where:
Base-Base interactions energy: -1036.805
where: short stacking energy: -448.636
Base-Backbone interact. energy: -1.446
local terms energy: -454.407622
where:
bonds (distance) C4'-P energy: -81.312
bonds (distance) P-C4' energy: -96.136
flat angles C4'-P-C4' energy: -99.390
flat angles P-C4'-P energy: -67.024
tors. eta vs tors. theta energy: -110.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -1442.470777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.470777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.470777 (E_RNA)
where:
Base-Base interactions energy: -999.641
where: short stacking energy: -414.978
Base-Backbone interact. energy: -0.420
local terms energy: -442.409025
where:
bonds (distance) C4'-P energy: -86.145
bonds (distance) P-C4' energy: -86.796
flat angles C4'-P-C4' energy: -99.819
flat angles P-C4'-P energy: -70.187
tors. eta vs tors. theta energy: -99.462
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: 68
Temperature: 1.250000
Total energy: -1355.478692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.478692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.478692 (E_RNA)
where:
Base-Base interactions energy: -967.139
where: short stacking energy: -382.912
Base-Backbone interact. energy: -1.456
local terms energy: -386.884047
where:
bonds (distance) C4'-P energy: -65.514
bonds (distance) P-C4' energy: -91.019
flat angles C4'-P-C4' energy: -94.366
flat angles P-C4'-P energy: -48.219
tors. eta vs tors. theta energy: -87.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -1131.011834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.011834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.011834 (E_RNA)
where:
Base-Base interactions energy: -744.891
where: short stacking energy: -315.544
Base-Backbone interact. energy: -1.897
local terms energy: -384.223352
where:
bonds (distance) C4'-P energy: -90.734
bonds (distance) P-C4' energy: -76.341
flat angles C4'-P-C4' energy: -85.226
flat angles P-C4'-P energy: -68.301
tors. eta vs tors. theta energy: -63.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -986.183469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -986.183469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -986.183469 (E_RNA)
where:
Base-Base interactions energy: -644.480
where: short stacking energy: -269.572
Base-Backbone interact. energy: -0.874
local terms energy: -340.829558
where:
bonds (distance) C4'-P energy: -76.185
bonds (distance) P-C4' energy: -82.273
flat angles C4'-P-C4' energy: -86.571
flat angles P-C4'-P energy: -51.963
tors. eta vs tors. theta energy: -43.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -1939.253158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.253158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.253158 (E_RNA)
where:
Base-Base interactions energy: -1375.478
where: short stacking energy: -520.908
Base-Backbone interact. energy: -3.971
local terms energy: -559.804267
where:
bonds (distance) C4'-P energy: -105.582
bonds (distance) P-C4' energy: -104.173
flat angles C4'-P-C4' energy: -113.057
flat angles P-C4'-P energy: -89.177
tors. eta vs tors. theta energy: -147.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -1873.106737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.106737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.106737 (E_RNA)
where:
Base-Base interactions energy: -1351.141
where: short stacking energy: -531.919
Base-Backbone interact. energy: -2.971
local terms energy: -518.994572
where:
bonds (distance) C4'-P energy: -73.465
bonds (distance) P-C4' energy: -103.387
flat angles C4'-P-C4' energy: -114.816
flat angles P-C4'-P energy: -78.058
tors. eta vs tors. theta energy: -149.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -1849.318667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.318667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.318667 (E_RNA)
where:
Base-Base interactions energy: -1320.545
where: short stacking energy: -529.538
Base-Backbone interact. energy: -2.516
local terms energy: -526.257702
where:
bonds (distance) C4'-P energy: -104.138
bonds (distance) P-C4' energy: -93.713
flat angles C4'-P-C4' energy: -107.975
flat angles P-C4'-P energy: -80.681
tors. eta vs tors. theta energy: -139.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -1730.983289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.983289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.983289 (E_RNA)
where:
Base-Base interactions energy: -1234.869
where: short stacking energy: -492.232
Base-Backbone interact. energy: 6.989
local terms energy: -503.103764
where:
bonds (distance) C4'-P energy: -106.546
bonds (distance) P-C4' energy: -93.852
flat angles C4'-P-C4' energy: -113.101
flat angles P-C4'-P energy: -64.201
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: 5, replica: 8
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -1657.219097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.219097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.219097 (E_RNA)
where:
Base-Base interactions energy: -1190.224
where: short stacking energy: -464.880
Base-Backbone interact. energy: -1.212
local terms energy: -465.783641
where:
bonds (distance) C4'-P energy: -92.024
bonds (distance) P-C4' energy: -76.408
flat angles C4'-P-C4' energy: -95.908
flat angles P-C4'-P energy: -72.338
tors. eta vs tors. theta energy: -129.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -1509.096639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.096639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.096639 (E_RNA)
where:
Base-Base interactions energy: -1056.883
where: short stacking energy: -450.111
Base-Backbone interact. energy: 3.873
local terms energy: -456.086801
where:
bonds (distance) C4'-P energy: -88.220
bonds (distance) P-C4' energy: -96.952
flat angles C4'-P-C4' energy: -94.211
flat angles P-C4'-P energy: -68.341
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: 7, replica: 5
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -1402.687765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.687765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.687765 (E_RNA)
where:
Base-Base interactions energy: -1001.472
where: short stacking energy: -413.230
Base-Backbone interact. energy: 2.225
local terms energy: -403.441018
where:
bonds (distance) C4'-P energy: -85.747
bonds (distance) P-C4' energy: -85.512
flat angles C4'-P-C4' energy: -93.091
flat angles P-C4'-P energy: -52.942
tors. eta vs tors. theta energy: -86.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -1307.580419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.580419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.580419 (E_RNA)
where:
Base-Base interactions energy: -917.807
where: short stacking energy: -377.169
Base-Backbone interact. energy: 0.063
local terms energy: -389.835883
where:
bonds (distance) C4'-P energy: -82.156
bonds (distance) P-C4' energy: -93.873
flat angles C4'-P-C4' energy: -88.590
flat angles P-C4'-P energy: -61.203
tors. eta vs tors. theta energy: -64.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -1107.267729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.267729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.267729 (E_RNA)
where:
Base-Base interactions energy: -736.469
where: short stacking energy: -310.287
Base-Backbone interact. energy: -1.005
local terms energy: -369.793286
where:
bonds (distance) C4'-P energy: -72.918
bonds (distance) P-C4' energy: -102.253
flat angles C4'-P-C4' energy: -86.929
flat angles P-C4'-P energy: -49.738
tors. eta vs tors. theta energy: -57.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -1013.231075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.231075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.231075 (E_RNA)
where:
Base-Base interactions energy: -652.299
where: short stacking energy: -273.321
Base-Backbone interact. energy: 1.693
local terms energy: -362.624947
where:
bonds (distance) C4'-P energy: -92.325
bonds (distance) P-C4' energy: -85.284
flat angles C4'-P-C4' energy: -79.513
flat angles P-C4'-P energy: -54.242
tors. eta vs tors. theta energy: -51.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -1923.471811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.471811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.471811 (E_RNA)
where:
Base-Base interactions energy: -1370.480
where: short stacking energy: -556.153
Base-Backbone interact. energy: -3.490
local terms energy: -549.501674
where:
bonds (distance) C4'-P energy: -94.831
bonds (distance) P-C4' energy: -91.345
flat angles C4'-P-C4' energy: -121.776
flat angles P-C4'-P energy: -89.622
tors. eta vs tors. theta energy: -151.927
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: 1
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -1930.617424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.617424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.617424 (E_RNA)
where:
Base-Base interactions energy: -1396.333
where: short stacking energy: -524.106
Base-Backbone interact. energy: -2.468
local terms energy: -531.816292
where:
bonds (distance) C4'-P energy: -92.324
bonds (distance) P-C4' energy: -89.168
flat angles C4'-P-C4' energy: -117.236
flat angles P-C4'-P energy: -82.274
tors. eta vs tors. theta energy: -150.814
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: 4
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -1846.133393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.133393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.133393 (E_RNA)
where:
Base-Base interactions energy: -1315.686
where: short stacking energy: -518.561
Base-Backbone interact. energy: -1.479
local terms energy: -528.967503
where:
bonds (distance) C4'-P energy: -102.833
bonds (distance) P-C4' energy: -86.900
flat angles C4'-P-C4' energy: -122.828
flat angles P-C4'-P energy: -81.600
tors. eta vs tors. theta energy: -134.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -1729.847791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.847791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.847791 (E_RNA)
where:
Base-Base interactions energy: -1222.988
where: short stacking energy: -494.237
Base-Backbone interact. energy: 6.395
local terms energy: -513.254952
where:
bonds (distance) C4'-P energy: -98.169
bonds (distance) P-C4' energy: -100.599
flat angles C4'-P-C4' energy: -101.982
flat angles P-C4'-P energy: -78.162
tors. eta vs tors. theta energy: -134.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -1662.206101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.206101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.206101 (E_RNA)
where:
Base-Base interactions energy: -1184.202
where: short stacking energy: -474.421
Base-Backbone interact. energy: -1.681
local terms energy: -476.322893
where:
bonds (distance) C4'-P energy: -78.705
bonds (distance) P-C4' energy: -88.193
flat angles C4'-P-C4' energy: -106.637
flat angles P-C4'-P energy: -70.909
tors. eta vs tors. theta energy: -131.879
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: 9
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -1528.126225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.126225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.126225 (E_RNA)
where:
Base-Base interactions energy: -1062.822
where: short stacking energy: -460.488
Base-Backbone interact. energy: 1.414
local terms energy: -466.718006
where:
bonds (distance) C4'-P energy: -90.319
bonds (distance) P-C4' energy: -91.752
flat angles C4'-P-C4' energy: -100.469
flat angles P-C4'-P energy: -69.250
tors. eta vs tors. theta energy: -114.928
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: 7
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -1387.204027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.204027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.204027 (E_RNA)
where:
Base-Base interactions energy: -955.384
where: short stacking energy: -396.930
Base-Backbone interact. energy: -1.164
local terms energy: -430.656483
where:
bonds (distance) C4'-P energy: -89.979
bonds (distance) P-C4' energy: -88.337
flat angles C4'-P-C4' energy: -88.997
flat angles P-C4'-P energy: -64.399
tors. eta vs tors. theta energy: -98.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -1383.333984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.333984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.333984 (E_RNA)
where:
Base-Base interactions energy: -983.576
where: short stacking energy: -417.809
Base-Backbone interact. energy: 1.999
local terms energy: -401.756807
where:
bonds (distance) C4'-P energy: -74.482
bonds (distance) P-C4' energy: -87.412
flat angles C4'-P-C4' energy: -89.602
flat angles P-C4'-P energy: -56.007
tors. eta vs tors. theta energy: -94.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -1098.815200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.815200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.815200 (E_RNA)
where:
Base-Base interactions energy: -749.886
where: short stacking energy: -322.068
Base-Backbone interact. energy: -0.912
local terms energy: -348.016384
where:
bonds (distance) C4'-P energy: -85.352
bonds (distance) P-C4' energy: -86.314
flat angles C4'-P-C4' energy: -85.245
flat angles P-C4'-P energy: -42.346
tors. eta vs tors. theta energy: -48.760
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: 10
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -987.188797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.188797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.188797 (E_RNA)
where:
Base-Base interactions energy: -629.902
where: short stacking energy: -269.869
Base-Backbone interact. energy: -2.327
local terms energy: -354.959391
where:
bonds (distance) C4'-P energy: -88.766
bonds (distance) P-C4' energy: -78.598
flat angles C4'-P-C4' energy: -83.391
flat angles P-C4'-P energy: -52.189
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: 1, replica: 2
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -1917.119624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.119624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.119624 (E_RNA)
where:
Base-Base interactions energy: -1338.877
where: short stacking energy: -539.252
Base-Backbone interact. energy: -2.703
local terms energy: -575.540304
where:
bonds (distance) C4'-P energy: -110.045
bonds (distance) P-C4' energy: -111.430
flat angles C4'-P-C4' energy: -123.595
flat angles P-C4'-P energy: -76.984
tors. eta vs tors. theta energy: -153.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -1956.110910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.110910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.110910 (E_RNA)
where:
Base-Base interactions energy: -1401.508
where: short stacking energy: -544.847
Base-Backbone interact. energy: -4.856
local terms energy: -549.746914
where:
bonds (distance) C4'-P energy: -98.065
bonds (distance) P-C4' energy: -100.932
flat angles C4'-P-C4' energy: -121.839
flat angles P-C4'-P energy: -77.158
tors. eta vs tors. theta energy: -151.752
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: 3, replica: 4
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -1824.467941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.467941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.467941 (E_RNA)
where:
Base-Base interactions energy: -1301.909
where: short stacking energy: -524.512
Base-Backbone interact. energy: 0.568
local terms energy: -523.127086
where:
bonds (distance) C4'-P energy: -83.812
bonds (distance) P-C4' energy: -100.633
flat angles C4'-P-C4' energy: -112.728
flat angles P-C4'-P energy: -88.313
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: 4, replica: 8
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -1681.007577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.007577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.007577 (E_RNA)
where:
Base-Base interactions energy: -1176.580
where: short stacking energy: -498.408
Base-Backbone interact. energy: -3.910
local terms energy: -500.517804
where:
bonds (distance) C4'-P energy: -84.594
bonds (distance) P-C4' energy: -98.555
flat angles C4'-P-C4' energy: -110.621
flat angles P-C4'-P energy: -73.512
tors. eta vs tors. theta energy: -133.235
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: 71
Temperature: 1.100000
Total energy: -1685.867448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1685.867448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1685.867448 (E_RNA)
where:
Base-Base interactions energy: -1193.564
where: short stacking energy: -487.561
Base-Backbone interact. energy: 0.482
local terms energy: -492.784914
where:
bonds (distance) C4'-P energy: -84.971
bonds (distance) P-C4' energy: -94.517
flat angles C4'-P-C4' energy: -110.616
flat angles P-C4'-P energy: -69.342
tors. eta vs tors. theta energy: -133.339
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: 9
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -1475.738438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.738438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.738438 (E_RNA)
where:
Base-Base interactions energy: -1048.667
where: short stacking energy: -436.823
Base-Backbone interact. energy: -0.377
local terms energy: -426.694850
where:
bonds (distance) C4'-P energy: -81.506
bonds (distance) P-C4' energy: -74.286
flat angles C4'-P-C4' energy: -106.226
flat angles P-C4'-P energy: -62.658
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: 7, replica: 7
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -1381.258635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.258635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.258635 (E_RNA)
where:
Base-Base interactions energy: -960.888
where: short stacking energy: -406.880
Base-Backbone interact. energy: -1.691
local terms energy: -418.679460
where:
bonds (distance) C4'-P energy: -96.551
bonds (distance) P-C4' energy: -95.638
flat angles C4'-P-C4' energy: -91.010
flat angles P-C4'-P energy: -52.814
tors. eta vs tors. theta energy: -82.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -1396.426166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.426166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.426166 (E_RNA)
where:
Base-Base interactions energy: -969.344
where: short stacking energy: -399.648
Base-Backbone interact. energy: 2.475
local terms energy: -429.556529
where:
bonds (distance) C4'-P energy: -94.858
bonds (distance) P-C4' energy: -83.233
flat angles C4'-P-C4' energy: -91.344
flat angles P-C4'-P energy: -52.153
tors. eta vs tors. theta energy: -107.968
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: 6
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -1113.217677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.217677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.217677 (E_RNA)
where:
Base-Base interactions energy: -755.732
where: short stacking energy: -318.922
Base-Backbone interact. energy: 0.640
local terms energy: -358.125821
where:
bonds (distance) C4'-P energy: -65.611
bonds (distance) P-C4' energy: -84.128
flat angles C4'-P-C4' energy: -97.439
flat angles P-C4'-P energy: -47.951
tors. eta vs tors. theta energy: -62.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -993.148106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.148106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.148106 (E_RNA)
where:
Base-Base interactions energy: -635.632
where: short stacking energy: -282.545
Base-Backbone interact. energy: -0.703
local terms energy: -356.812970
where:
bonds (distance) C4'-P energy: -87.643
bonds (distance) P-C4' energy: -91.721
flat angles C4'-P-C4' energy: -87.535
flat angles P-C4'-P energy: -59.241
tors. eta vs tors. theta energy: -30.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -1967.705075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.705075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.705075 (E_RNA)
where:
Base-Base interactions energy: -1430.230
where: short stacking energy: -567.929
Base-Backbone interact. energy: -3.873
local terms energy: -533.602642
where:
bonds (distance) C4'-P energy: -86.405
bonds (distance) P-C4' energy: -92.025
flat angles C4'-P-C4' energy: -117.882
flat angles P-C4'-P energy: -84.250
tors. eta vs tors. theta energy: -153.040
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: 2
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -1922.350586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.350586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.350586 (E_RNA)
where:
Base-Base interactions energy: -1377.501
where: short stacking energy: -547.066
Base-Backbone interact. energy: -1.990
local terms energy: -542.859790
where:
bonds (distance) C4'-P energy: -101.459
bonds (distance) P-C4' energy: -101.262
flat angles C4'-P-C4' energy: -118.041
flat angles P-C4'-P energy: -71.454
tors. eta vs tors. theta energy: -150.644
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: 72
Temperature: 1.000000
Total energy: -1829.431781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.431781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.431781 (E_RNA)
where:
Base-Base interactions energy: -1284.590
where: short stacking energy: -524.127
Base-Backbone interact. energy: 3.392
local terms energy: -548.232863
where:
bonds (distance) C4'-P energy: -96.324
bonds (distance) P-C4' energy: -92.659
flat angles C4'-P-C4' energy: -126.382
flat angles P-C4'-P energy: -80.386
tors. eta vs tors. theta energy: -152.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -1681.626356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.626356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.626356 (E_RNA)
where:
Base-Base interactions energy: -1152.594
where: short stacking energy: -469.262
Base-Backbone interact. energy: -2.761
local terms energy: -526.271359
where:
bonds (distance) C4'-P energy: -101.455
bonds (distance) P-C4' energy: -112.880
flat angles C4'-P-C4' energy: -110.313
flat angles P-C4'-P energy: -78.084
tors. eta vs tors. theta energy: -123.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -1665.485299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.485299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.485299 (E_RNA)
where:
Base-Base interactions energy: -1177.637
where: short stacking energy: -477.226
Base-Backbone interact. energy: 1.623
local terms energy: -489.470559
where:
bonds (distance) C4'-P energy: -85.467
bonds (distance) P-C4' energy: -99.144
flat angles C4'-P-C4' energy: -104.487
flat angles P-C4'-P energy: -72.679
tors. eta vs tors. theta energy: -127.694
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: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -1514.753943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.753943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.753943 (E_RNA)
where:
Base-Base interactions energy: -1041.824
where: short stacking energy: -420.589
Base-Backbone interact. energy: -3.249
local terms energy: -469.681069
where:
bonds (distance) C4'-P energy: -89.500
bonds (distance) P-C4' energy: -93.758
flat angles C4'-P-C4' energy: -87.892
flat angles P-C4'-P energy: -79.405
tors. eta vs tors. theta energy: -119.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -1397.610076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.610076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.610076 (E_RNA)
where:
Base-Base interactions energy: -950.229
where: short stacking energy: -410.106
Base-Backbone interact. energy: 1.410
local terms energy: -448.791074
where:
bonds (distance) C4'-P energy: -87.428
bonds (distance) P-C4' energy: -94.205
flat angles C4'-P-C4' energy: -95.540
flat angles P-C4'-P energy: -73.064
tors. eta vs tors. theta energy: -98.554
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: 5
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -1316.887736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.887736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.887736 (E_RNA)
where:
Base-Base interactions energy: -929.466
where: short stacking energy: -419.232
Base-Backbone interact. energy: 0.203
local terms energy: -387.624623
where:
bonds (distance) C4'-P energy: -80.830
bonds (distance) P-C4' energy: -73.327
flat angles C4'-P-C4' energy: -90.121
flat angles P-C4'-P energy: -59.636
tors. eta vs tors. theta energy: -83.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -1069.299286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.299286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.299286 (E_RNA)
where:
Base-Base interactions energy: -717.699
where: short stacking energy: -317.782
Base-Backbone interact. energy: 1.821
local terms energy: -353.421636
where:
bonds (distance) C4'-P energy: -87.236
bonds (distance) P-C4' energy: -82.724
flat angles C4'-P-C4' energy: -85.238
flat angles P-C4'-P energy: -37.806
tors. eta vs tors. theta energy: -60.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -1030.779925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.779925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.779925 (E_RNA)
where:
Base-Base interactions energy: -691.470
where: short stacking energy: -298.413
Base-Backbone interact. energy: -2.247
local terms energy: -337.062503
where:
bonds (distance) C4'-P energy: -66.786
bonds (distance) P-C4' energy: -88.091
flat angles C4'-P-C4' energy: -85.582
flat angles P-C4'-P energy: -43.277
tors. eta vs tors. theta energy: -53.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -1957.572925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.572925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.572925 (E_RNA)
where:
Base-Base interactions energy: -1409.230
where: short stacking energy: -550.748
Base-Backbone interact. energy: -2.509
local terms energy: -545.833552
where:
bonds (distance) C4'-P energy: -86.021
bonds (distance) P-C4' energy: -102.795
flat angles C4'-P-C4' energy: -120.524
flat angles P-C4'-P energy: -80.599
tors. eta vs tors. theta energy: -155.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -1900.317191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.317191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.317191 (E_RNA)
where:
Base-Base interactions energy: -1352.149
where: short stacking energy: -539.990
Base-Backbone interact. energy: -3.043
local terms energy: -545.124815
where:
bonds (distance) C4'-P energy: -106.104
bonds (distance) P-C4' energy: -103.435
flat angles C4'-P-C4' energy: -112.566
flat angles P-C4'-P energy: -75.716
tors. eta vs tors. theta energy: -147.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -1819.987733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.987733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.987733 (E_RNA)
where:
Base-Base interactions energy: -1272.311
where: short stacking energy: -510.098
Base-Backbone interact. energy: -1.437
local terms energy: -546.239631
where:
bonds (distance) C4'-P energy: -103.987
bonds (distance) P-C4' energy: -100.983
flat angles C4'-P-C4' energy: -121.205
flat angles P-C4'-P energy: -78.982
tors. eta vs tors. theta energy: -141.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -1687.577332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.577332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.577332 (E_RNA)
where:
Base-Base interactions energy: -1176.884
where: short stacking energy: -459.871
Base-Backbone interact. energy: 0.019
local terms energy: -510.712563
where:
bonds (distance) C4'-P energy: -97.778
bonds (distance) P-C4' energy: -107.367
flat angles C4'-P-C4' energy: -114.740
flat angles P-C4'-P energy: -72.158
tors. eta vs tors. theta energy: -118.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -1701.332712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.332712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.332712 (E_RNA)
where:
Base-Base interactions energy: -1182.064
where: short stacking energy: -486.114
Base-Backbone interact. energy: 4.785
local terms energy: -524.053680
where:
bonds (distance) C4'-P energy: -94.494
bonds (distance) P-C4' energy: -100.261
flat angles C4'-P-C4' energy: -112.369
flat angles P-C4'-P energy: -68.849
tors. eta vs tors. theta energy: -148.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -1423.092948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.092948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.092948 (E_RNA)
where:
Base-Base interactions energy: -960.466
where: short stacking energy: -378.243
Base-Backbone interact. energy: -2.279
local terms energy: -460.346998
where:
bonds (distance) C4'-P energy: -87.478
bonds (distance) P-C4' energy: -107.440
flat angles C4'-P-C4' energy: -97.760
flat angles P-C4'-P energy: -68.584
tors. eta vs tors. theta energy: -99.085
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: 7
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -1420.934781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.934781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.934781 (E_RNA)
where:
Base-Base interactions energy: -962.756
where: short stacking energy: -398.394
Base-Backbone interact. energy: -1.867
local terms energy: -456.311218
where:
bonds (distance) C4'-P energy: -93.327
bonds (distance) P-C4' energy: -108.277
flat angles C4'-P-C4' energy: -93.915
flat angles P-C4'-P energy: -61.518
tors. eta vs tors. theta energy: -99.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -1329.979799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.979799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.979799 (E_RNA)
where:
Base-Base interactions energy: -940.882
where: short stacking energy: -391.240
Base-Backbone interact. energy: 5.475
local terms energy: -394.572331
where:
bonds (distance) C4'-P energy: -89.169
bonds (distance) P-C4' energy: -91.150
flat angles C4'-P-C4' energy: -83.191
flat angles P-C4'-P energy: -51.006
tors. eta vs tors. theta energy: -80.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -1176.457091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.457091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.457091 (E_RNA)
where:
Base-Base interactions energy: -778.882
where: short stacking energy: -347.427
Base-Backbone interact. energy: 1.424
local terms energy: -398.998620
where:
bonds (distance) C4'-P energy: -81.435
bonds (distance) P-C4' energy: -73.105
flat angles C4'-P-C4' energy: -108.574
flat angles P-C4'-P energy: -64.294
tors. eta vs tors. theta energy: -71.591
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: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -1027.533069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1027.533069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1027.533069 (E_RNA)
where:
Base-Base interactions energy: -700.301
where: short stacking energy: -281.737
Base-Backbone interact. energy: -2.231
local terms energy: -325.000907
where:
bonds (distance) C4'-P energy: -67.003
bonds (distance) P-C4' energy: -82.570
flat angles C4'-P-C4' energy: -87.374
flat angles P-C4'-P energy: -48.468
tors. eta vs tors. theta energy: -39.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -1916.081421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.081421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.081421 (E_RNA)
where:
Base-Base interactions energy: -1387.712
where: short stacking energy: -560.051
Base-Backbone interact. energy: -1.017
local terms energy: -527.352974
where:
bonds (distance) C4'-P energy: -95.925
bonds (distance) P-C4' energy: -94.037
flat angles C4'-P-C4' energy: -118.652
flat angles P-C4'-P energy: -77.249
tors. eta vs tors. theta energy: -141.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -1912.529670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.529670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.529670 (E_RNA)
where:
Base-Base interactions energy: -1385.957
where: short stacking energy: -528.519
Base-Backbone interact. energy: -3.270
local terms energy: -523.303214
where:
bonds (distance) C4'-P energy: -100.070
bonds (distance) P-C4' energy: -89.603
flat angles C4'-P-C4' energy: -114.028
flat angles P-C4'-P energy: -74.869
tors. eta vs tors. theta energy: -144.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -1842.092706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.092706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.092706 (E_RNA)
where:
Base-Base interactions energy: -1325.901
where: short stacking energy: -517.601
Base-Backbone interact. energy: -1.414
local terms energy: -514.777652
where:
bonds (distance) C4'-P energy: -93.029
bonds (distance) P-C4' energy: -97.502
flat angles C4'-P-C4' energy: -114.284
flat angles P-C4'-P energy: -73.557
tors. eta vs tors. theta energy: -136.405
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: 4, replica: 8
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -1729.862737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.862737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.862737 (E_RNA)
where:
Base-Base interactions energy: -1233.044
where: short stacking energy: -495.215
Base-Backbone interact. energy: -0.845
local terms energy: -495.973654
where:
bonds (distance) C4'-P energy: -67.322
bonds (distance) P-C4' energy: -97.320
flat angles C4'-P-C4' energy: -120.765
flat angles P-C4'-P energy: -78.106
tors. eta vs tors. theta energy: -132.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -1661.531137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.531137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.531137 (E_RNA)
where:
Base-Base interactions energy: -1182.106
where: short stacking energy: -476.131
Base-Backbone interact. energy: -2.075
local terms energy: -477.350063
where:
bonds (distance) C4'-P energy: -89.292
bonds (distance) P-C4' energy: -95.412
flat angles C4'-P-C4' energy: -107.656
flat angles P-C4'-P energy: -64.735
tors. eta vs tors. theta energy: -120.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -1479.080411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.080411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.080411 (E_RNA)
where:
Base-Base interactions energy: -1030.432
where: short stacking energy: -436.892
Base-Backbone interact. energy: 0.050
local terms energy: -448.699048
where:
bonds (distance) C4'-P energy: -81.763
bonds (distance) P-C4' energy: -89.723
flat angles C4'-P-C4' energy: -104.652
flat angles P-C4'-P energy: -65.304
tors. eta vs tors. theta energy: -107.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -1380.562037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.562037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.562037 (E_RNA)
where:
Base-Base interactions energy: -967.689
where: short stacking energy: -390.529
Base-Backbone interact. energy: -0.495
local terms energy: -412.377813
where:
bonds (distance) C4'-P energy: -74.262
bonds (distance) P-C4' energy: -84.232
flat angles C4'-P-C4' energy: -102.903
flat angles P-C4'-P energy: -60.760
tors. eta vs tors. theta energy: -90.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -1331.256538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.256538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.256538 (E_RNA)
where:
Base-Base interactions energy: -928.587
where: short stacking energy: -365.742
Base-Backbone interact. energy: 8.527
local terms energy: -411.197137
where:
bonds (distance) C4'-P energy: -80.647
bonds (distance) P-C4' energy: -101.695
flat angles C4'-P-C4' energy: -83.671
flat angles P-C4'-P energy: -60.270
tors. eta vs tors. theta energy: -84.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -1154.389603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.389603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.389603 (E_RNA)
where:
Base-Base interactions energy: -744.521
where: short stacking energy: -332.128
Base-Backbone interact. energy: -0.601
local terms energy: -409.267521
where:
bonds (distance) C4'-P energy: -80.276
bonds (distance) P-C4' energy: -103.641
flat angles C4'-P-C4' energy: -83.340
flat angles P-C4'-P energy: -74.385
tors. eta vs tors. theta energy: -67.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -1059.684497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.684497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.684497 (E_RNA)
where:
Base-Base interactions energy: -744.877
where: short stacking energy: -319.205
Base-Backbone interact. energy: 8.876
local terms energy: -323.683135
where:
bonds (distance) C4'-P energy: -69.991
bonds (distance) P-C4' energy: -87.525
flat angles C4'-P-C4' energy: -67.144
flat angles P-C4'-P energy: -43.189
tors. eta vs tors. theta energy: -55.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -1924.496922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.496922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.496922 (E_RNA)
where:
Base-Base interactions energy: -1355.682
where: short stacking energy: -542.253
Base-Backbone interact. energy: -1.076
local terms energy: -567.739584
where:
bonds (distance) C4'-P energy: -105.421
bonds (distance) P-C4' energy: -111.496
flat angles C4'-P-C4' energy: -115.574
flat angles P-C4'-P energy: -92.002
tors. eta vs tors. theta energy: -143.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -1927.291998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.291998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.291998 (E_RNA)
where:
Base-Base interactions energy: -1373.198
where: short stacking energy: -537.519
Base-Backbone interact. energy: -1.256
local terms energy: -552.838568
where:
bonds (distance) C4'-P energy: -97.186
bonds (distance) P-C4' energy: -109.754
flat angles C4'-P-C4' energy: -114.881
flat angles P-C4'-P energy: -76.670
tors. eta vs tors. theta energy: -154.348
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: 4
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -1828.123456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.123456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.123456 (E_RNA)
where:
Base-Base interactions energy: -1292.237
where: short stacking energy: -524.427
Base-Backbone interact. energy: -0.729
local terms energy: -535.157614
where:
bonds (distance) C4'-P energy: -83.414
bonds (distance) P-C4' energy: -104.564
flat angles C4'-P-C4' energy: -112.497
flat angles P-C4'-P energy: -86.298
tors. eta vs tors. theta energy: -148.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -1730.139282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.139282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.139282 (E_RNA)
where:
Base-Base interactions energy: -1227.088
where: short stacking energy: -498.810
Base-Backbone interact. energy: -3.223
local terms energy: -499.827656
where:
bonds (distance) C4'-P energy: -92.252
bonds (distance) P-C4' energy: -95.814
flat angles C4'-P-C4' energy: -110.944
flat angles P-C4'-P energy: -75.078
tors. eta vs tors. theta energy: -125.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -1688.039855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.039855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.039855 (E_RNA)
where:
Base-Base interactions energy: -1195.468
where: short stacking energy: -491.111
Base-Backbone interact. energy: -4.292
local terms energy: -488.279231
where:
bonds (distance) C4'-P energy: -86.909
bonds (distance) P-C4' energy: -83.870
flat angles C4'-P-C4' energy: -112.937
flat angles P-C4'-P energy: -74.840
tors. eta vs tors. theta energy: -129.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -1446.318160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.318160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.318160 (E_RNA)
where:
Base-Base interactions energy: -1018.788
where: short stacking energy: -430.261
Base-Backbone interact. energy: 0.896
local terms energy: -428.426300
where:
bonds (distance) C4'-P energy: -95.022
bonds (distance) P-C4' energy: -77.380
flat angles C4'-P-C4' energy: -86.680
flat angles P-C4'-P energy: -60.919
tors. eta vs tors. theta energy: -108.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -1354.116854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.116854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.116854 (E_RNA)
where:
Base-Base interactions energy: -939.810
where: short stacking energy: -352.290
Base-Backbone interact. energy: -2.746
local terms energy: -411.560539
where:
bonds (distance) C4'-P energy: -81.014
bonds (distance) P-C4' energy: -85.090
flat angles C4'-P-C4' energy: -97.899
flat angles P-C4'-P energy: -66.672
tors. eta vs tors. theta energy: -80.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -1358.426143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.426143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.426143 (E_RNA)
where:
Base-Base interactions energy: -916.025
where: short stacking energy: -385.505
Base-Backbone interact. energy: -2.702
local terms energy: -439.698859
where:
bonds (distance) C4'-P energy: -92.672
bonds (distance) P-C4' energy: -86.124
flat angles C4'-P-C4' energy: -100.151
flat angles P-C4'-P energy: -62.922
tors. eta vs tors. theta energy: -97.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -1166.011066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1166.011066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1166.011066 (E_RNA)
where:
Base-Base interactions energy: -786.289
where: short stacking energy: -344.463
Base-Backbone interact. energy: -2.395
local terms energy: -377.326407
where:
bonds (distance) C4'-P energy: -78.020
bonds (distance) P-C4' energy: -83.305
flat angles C4'-P-C4' energy: -85.826
flat angles P-C4'-P energy: -56.764
tors. eta vs tors. theta energy: -73.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -1003.817652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1003.817652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1003.817652 (E_RNA)
where:
Base-Base interactions energy: -654.554
where: short stacking energy: -288.261
Base-Backbone interact. energy: 0.016
local terms energy: -349.279286
where:
bonds (distance) C4'-P energy: -77.194
bonds (distance) P-C4' energy: -93.694
flat angles C4'-P-C4' energy: -89.067
flat angles P-C4'-P energy: -44.847
tors. eta vs tors. theta energy: -44.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -1930.510275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.510275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.510275 (E_RNA)
where:
Base-Base interactions energy: -1372.269
where: short stacking energy: -567.897
Base-Backbone interact. energy: -0.615
local terms energy: -557.626312
where:
bonds (distance) C4'-P energy: -94.758
bonds (distance) P-C4' energy: -109.475
flat angles C4'-P-C4' energy: -112.306
flat angles P-C4'-P energy: -87.765
tors. eta vs tors. theta energy: -153.322
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: 1
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -1902.961786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.961786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.961786 (E_RNA)
where:
Base-Base interactions energy: -1372.465
where: short stacking energy: -537.342
Base-Backbone interact. energy: -1.506
local terms energy: -528.991099
where:
bonds (distance) C4'-P energy: -101.906
bonds (distance) P-C4' energy: -95.072
flat angles C4'-P-C4' energy: -111.642
flat angles P-C4'-P energy: -68.356
tors. eta vs tors. theta energy: -152.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -1860.490985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.490985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.490985 (E_RNA)
where:
Base-Base interactions energy: -1326.892
where: short stacking energy: -549.359
Base-Backbone interact. energy: -0.963
local terms energy: -532.635332
where:
bonds (distance) C4'-P energy: -97.905
bonds (distance) P-C4' energy: -99.810
flat angles C4'-P-C4' energy: -107.808
flat angles P-C4'-P energy: -77.466
tors. eta vs tors. theta energy: -149.646
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: 8
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -1705.456107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.456107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.456107 (E_RNA)
where:
Base-Base interactions energy: -1224.066
where: short stacking energy: -474.282
Base-Backbone interact. energy: -2.749
local terms energy: -478.640641
where:
bonds (distance) C4'-P energy: -89.637
bonds (distance) P-C4' energy: -88.941
flat angles C4'-P-C4' energy: -106.146
flat angles P-C4'-P energy: -74.763
tors. eta vs tors. theta energy: -119.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -1627.878984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.878984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.878984 (E_RNA)
where:
Base-Base interactions energy: -1155.603
where: short stacking energy: -470.816
Base-Backbone interact. energy: -3.338
local terms energy: -468.938816
where:
bonds (distance) C4'-P energy: -82.630
bonds (distance) P-C4' energy: -89.926
flat angles C4'-P-C4' energy: -108.760
flat angles P-C4'-P energy: -64.601
tors. eta vs tors. theta energy: -123.022
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: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -1465.866859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.866859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.866859 (E_RNA)
where:
Base-Base interactions energy: -1001.465
where: short stacking energy: -434.342
Base-Backbone interact. energy: -1.896
local terms energy: -462.505419
where:
bonds (distance) C4'-P energy: -76.039
bonds (distance) P-C4' energy: -107.296
flat angles C4'-P-C4' energy: -107.422
flat angles P-C4'-P energy: -67.488
tors. eta vs tors. theta energy: -104.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -1329.331554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.331554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.331554 (E_RNA)
where:
Base-Base interactions energy: -918.189
where: short stacking energy: -381.599
Base-Backbone interact. energy: -2.722
local terms energy: -408.420718
where:
bonds (distance) C4'-P energy: -85.551
bonds (distance) P-C4' energy: -88.522
flat angles C4'-P-C4' energy: -104.100
flat angles P-C4'-P energy: -53.075
tors. eta vs tors. theta energy: -77.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -1363.385750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.385750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.385750 (E_RNA)
where:
Base-Base interactions energy: -975.645
where: short stacking energy: -400.393
Base-Backbone interact. energy: 0.559
local terms energy: -388.299429
where:
bonds (distance) C4'-P energy: -84.047
bonds (distance) P-C4' energy: -80.362
flat angles C4'-P-C4' energy: -93.367
flat angles P-C4'-P energy: -44.579
tors. eta vs tors. theta energy: -85.943
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: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -1169.774715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.774715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.774715 (E_RNA)
where:
Base-Base interactions energy: -793.245
where: short stacking energy: -341.223
Base-Backbone interact. energy: -0.558
local terms energy: -375.972063
where:
bonds (distance) C4'-P energy: -75.409
bonds (distance) P-C4' energy: -77.999
flat angles C4'-P-C4' energy: -100.678
flat angles P-C4'-P energy: -54.803
tors. eta vs tors. theta energy: -67.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -1004.224248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1004.224248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1004.224248 (E_RNA)
where:
Base-Base interactions energy: -672.475
where: short stacking energy: -278.869
Base-Backbone interact. energy: 3.361
local terms energy: -335.110308
where:
bonds (distance) C4'-P energy: -77.336
bonds (distance) P-C4' energy: -87.153
flat angles C4'-P-C4' energy: -76.195
flat angles P-C4'-P energy: -48.998
tors. eta vs tors. theta energy: -45.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -1941.744987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.744987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.744987 (E_RNA)
where:
Base-Base interactions energy: -1406.680
where: short stacking energy: -570.491
Base-Backbone interact. energy: 1.551
local terms energy: -536.616146
where:
bonds (distance) C4'-P energy: -101.701
bonds (distance) P-C4' energy: -97.415
flat angles C4'-P-C4' energy: -114.198
flat angles P-C4'-P energy: -69.845
tors. eta vs tors. theta energy: -153.456
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: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -1885.402955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.402955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.402955 (E_RNA)
where:
Base-Base interactions energy: -1337.156
where: short stacking energy: -530.763
Base-Backbone interact. energy: -2.077
local terms energy: -546.170877
where:
bonds (distance) C4'-P energy: -97.343
bonds (distance) P-C4' energy: -102.481
flat angles C4'-P-C4' energy: -117.554
flat angles P-C4'-P energy: -81.284
tors. eta vs tors. theta energy: -147.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -1848.586438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.586438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.586438 (E_RNA)
where:
Base-Base interactions energy: -1313.669
where: short stacking energy: -543.010
Base-Backbone interact. energy: -4.433
local terms energy: -530.483925
where:
bonds (distance) C4'-P energy: -94.009
bonds (distance) P-C4' energy: -105.633
flat angles C4'-P-C4' energy: -112.832
flat angles P-C4'-P energy: -68.286
tors. eta vs tors. theta energy: -149.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -1738.661057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.661057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.661057 (E_RNA)
where:
Base-Base interactions energy: -1224.296
where: short stacking energy: -512.877
Base-Backbone interact. energy: -1.950
local terms energy: -512.414507
where:
bonds (distance) C4'-P energy: -86.606
bonds (distance) P-C4' energy: -103.404
flat angles C4'-P-C4' energy: -110.991
flat angles P-C4'-P energy: -76.816
tors. eta vs tors. theta energy: -134.598
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: 5, replica: 3
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -1599.348329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.348329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.348329 (E_RNA)
where:
Base-Base interactions energy: -1140.441
where: short stacking energy: -454.220
Base-Backbone interact. energy: -1.631
local terms energy: -457.276294
where:
bonds (distance) C4'-P energy: -91.998
bonds (distance) P-C4' energy: -87.798
flat angles C4'-P-C4' energy: -94.229
flat angles P-C4'-P energy: -67.667
tors. eta vs tors. theta energy: -115.584
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: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -1444.961261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.961261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.961261 (E_RNA)
where:
Base-Base interactions energy: -999.739
where: short stacking energy: -428.623
Base-Backbone interact. energy: -0.230
local terms energy: -444.991572
where:
bonds (distance) C4'-P energy: -81.584
bonds (distance) P-C4' energy: -96.056
flat angles C4'-P-C4' energy: -99.320
flat angles P-C4'-P energy: -75.758
tors. eta vs tors. theta energy: -92.274
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: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -1411.179217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.179217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.179217 (E_RNA)
where:
Base-Base interactions energy: -986.233
where: short stacking energy: -394.277
Base-Backbone interact. energy: 0.706
local terms energy: -425.652084
where:
bonds (distance) C4'-P energy: -89.469
bonds (distance) P-C4' energy: -81.567
flat angles C4'-P-C4' energy: -94.779
flat angles P-C4'-P energy: -60.175
tors. eta vs tors. theta energy: -99.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -1317.984992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.984992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.984992 (E_RNA)
where:
Base-Base interactions energy: -955.329
where: short stacking energy: -371.151
Base-Backbone interact. energy: -0.458
local terms energy: -362.198095
where:
bonds (distance) C4'-P energy: -60.285
bonds (distance) P-C4' energy: -82.553
flat angles C4'-P-C4' energy: -88.202
flat angles P-C4'-P energy: -55.419
tors. eta vs tors. theta energy: -75.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -1170.986634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.986634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.986634 (E_RNA)
where:
Base-Base interactions energy: -776.591
where: short stacking energy: -320.312
Base-Backbone interact. energy: -3.264
local terms energy: -391.131004
where:
bonds (distance) C4'-P energy: -76.034
bonds (distance) P-C4' energy: -103.947
flat angles C4'-P-C4' energy: -86.705
flat angles P-C4'-P energy: -62.350
tors. eta vs tors. theta energy: -62.096
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: 77
Temperature: 1.350000
Total energy: -1040.678994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1040.678994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1040.678994 (E_RNA)
where:
Base-Base interactions energy: -676.477
where: short stacking energy: -289.390
Base-Backbone interact. energy: -3.277
local terms energy: -360.924984
where:
bonds (distance) C4'-P energy: -76.511
bonds (distance) P-C4' energy: -82.325
flat angles C4'-P-C4' energy: -87.827
flat angles P-C4'-P energy: -54.869
tors. eta vs tors. theta energy: -59.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -1920.261368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.261368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.261368 (E_RNA)
where:
Base-Base interactions energy: -1374.788
where: short stacking energy: -526.608
Base-Backbone interact. energy: -1.055
local terms energy: -544.418277
where:
bonds (distance) C4'-P energy: -100.564
bonds (distance) P-C4' energy: -102.589
flat angles C4'-P-C4' energy: -123.034
flat angles P-C4'-P energy: -68.362
tors. eta vs tors. theta energy: -149.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -1921.458054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.458054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.458054 (E_RNA)
where:
Base-Base interactions energy: -1370.542
where: short stacking energy: -538.563
Base-Backbone interact. energy: 0.969
local terms energy: -551.885046
where:
bonds (distance) C4'-P energy: -100.598
bonds (distance) P-C4' energy: -106.157
flat angles C4'-P-C4' energy: -127.870
flat angles P-C4'-P energy: -70.778
tors. eta vs tors. theta energy: -146.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -1854.080673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.080673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.080673 (E_RNA)
where:
Base-Base interactions energy: -1319.995
where: short stacking energy: -550.273
Base-Backbone interact. energy: -0.798
local terms energy: -533.287470
where:
bonds (distance) C4'-P energy: -84.785
bonds (distance) P-C4' energy: -113.016
flat angles C4'-P-C4' energy: -117.223
flat angles P-C4'-P energy: -71.839
tors. eta vs tors. theta energy: -146.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -1689.707725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.707725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.707725 (E_RNA)
where:
Base-Base interactions energy: -1209.019
where: short stacking energy: -469.822
Base-Backbone interact. energy: -1.100
local terms energy: -479.589195
where:
bonds (distance) C4'-P energy: -86.646
bonds (distance) P-C4' energy: -91.289
flat angles C4'-P-C4' energy: -108.860
flat angles P-C4'-P energy: -71.287
tors. eta vs tors. theta energy: -121.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -1645.523225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.523225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.523225 (E_RNA)
where:
Base-Base interactions energy: -1176.273
where: short stacking energy: -454.646
Base-Backbone interact. energy: -1.770
local terms energy: -467.480611
where:
bonds (distance) C4'-P energy: -89.551
bonds (distance) P-C4' energy: -87.498
flat angles C4'-P-C4' energy: -102.090
flat angles P-C4'-P energy: -67.718
tors. eta vs tors. theta energy: -120.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -1450.214916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.214916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.214916 (E_RNA)
where:
Base-Base interactions energy: -998.528
where: short stacking energy: -432.533
Base-Backbone interact. energy: 1.362
local terms energy: -453.048883
where:
bonds (distance) C4'-P energy: -83.605
bonds (distance) P-C4' energy: -88.858
flat angles C4'-P-C4' energy: -111.311
flat angles P-C4'-P energy: -66.706
tors. eta vs tors. theta energy: -102.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -1428.447678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.447678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.447678 (E_RNA)
where:
Base-Base interactions energy: -1022.271
where: short stacking energy: -429.968
Base-Backbone interact. energy: 2.031
local terms energy: -408.207910
where:
bonds (distance) C4'-P energy: -75.066
bonds (distance) P-C4' energy: -75.090
flat angles C4'-P-C4' energy: -85.765
flat angles P-C4'-P energy: -63.203
tors. eta vs tors. theta energy: -109.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -1362.969261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.969261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.969261 (E_RNA)
where:
Base-Base interactions energy: -962.019
where: short stacking energy: -391.532
Base-Backbone interact. energy: -0.091
local terms energy: -400.859448
where:
bonds (distance) C4'-P energy: -67.329
bonds (distance) P-C4' energy: -90.318
flat angles C4'-P-C4' energy: -96.607
flat angles P-C4'-P energy: -63.448
tors. eta vs tors. theta energy: -83.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -1169.268090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1169.268090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1169.268090 (E_RNA)
where:
Base-Base interactions energy: -775.453
where: short stacking energy: -338.875
Base-Backbone interact. energy: 5.055
local terms energy: -398.870209
where:
bonds (distance) C4'-P energy: -91.898
bonds (distance) P-C4' energy: -88.209
flat angles C4'-P-C4' energy: -86.002
flat angles P-C4'-P energy: -60.844
tors. eta vs tors. theta energy: -71.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -1088.338093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.338093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.338093 (E_RNA)
where:
Base-Base interactions energy: -705.976
where: short stacking energy: -301.065
Base-Backbone interact. energy: -1.922
local terms energy: -380.440105
where:
bonds (distance) C4'-P energy: -87.582
bonds (distance) P-C4' energy: -93.416
flat angles C4'-P-C4' energy: -79.418
flat angles P-C4'-P energy: -59.412
tors. eta vs tors. theta energy: -60.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -1928.844993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.844993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.844993 (E_RNA)
where:
Base-Base interactions energy: -1380.847
where: short stacking energy: -533.744
Base-Backbone interact. energy: 1.014
local terms energy: -549.012037
where:
bonds (distance) C4'-P energy: -106.759
bonds (distance) P-C4' energy: -109.340
flat angles C4'-P-C4' energy: -124.191
flat angles P-C4'-P energy: -70.391
tors. eta vs tors. theta energy: -138.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -1943.020252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.020252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.020252 (E_RNA)
where:
Base-Base interactions energy: -1398.217
where: short stacking energy: -568.678
Base-Backbone interact. energy: -2.459
local terms energy: -542.344336
where:
bonds (distance) C4'-P energy: -86.530
bonds (distance) P-C4' energy: -103.560
flat angles C4'-P-C4' energy: -117.317
flat angles P-C4'-P energy: -77.539
tors. eta vs tors. theta energy: -157.397
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: 3, replica: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -1847.411713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.411713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.411713 (E_RNA)
where:
Base-Base interactions energy: -1309.152
where: short stacking energy: -524.767
Base-Backbone interact. energy: -0.829
local terms energy: -537.430938
where:
bonds (distance) C4'-P energy: -106.021
bonds (distance) P-C4' energy: -104.358
flat angles C4'-P-C4' energy: -112.037
flat angles P-C4'-P energy: -64.892
tors. eta vs tors. theta energy: -150.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -1792.289843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.289843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.289843 (E_RNA)
where:
Base-Base interactions energy: -1289.895
where: short stacking energy: -520.426
Base-Backbone interact. energy: -2.587
local terms energy: -499.807760
where:
bonds (distance) C4'-P energy: -82.266
bonds (distance) P-C4' energy: -82.759
flat angles C4'-P-C4' energy: -112.083
flat angles P-C4'-P energy: -78.734
tors. eta vs tors. theta energy: -143.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -1657.744228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.744228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.744228 (E_RNA)
where:
Base-Base interactions energy: -1178.333
where: short stacking energy: -479.233
Base-Backbone interact. energy: 1.087
local terms energy: -480.497657
where:
bonds (distance) C4'-P energy: -89.350
bonds (distance) P-C4' energy: -95.124
flat angles C4'-P-C4' energy: -99.982
flat angles P-C4'-P energy: -72.677
tors. eta vs tors. theta energy: -123.365
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: 6, replica: 9
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -1449.227463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.227463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.227463 (E_RNA)
where:
Base-Base interactions energy: -1006.226
where: short stacking energy: -400.041
Base-Backbone interact. energy: -2.297
local terms energy: -440.704573
where:
bonds (distance) C4'-P energy: -76.216
bonds (distance) P-C4' energy: -96.306
flat angles C4'-P-C4' energy: -102.117
flat angles P-C4'-P energy: -74.660
tors. eta vs tors. theta energy: -91.406
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: 79
Temperature: 1.200000
Total energy: -1362.745496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.745496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.745496 (E_RNA)
where:
Base-Base interactions energy: -927.567
where: short stacking energy: -377.025
Base-Backbone interact. energy: -0.928
local terms energy: -434.250052
where:
bonds (distance) C4'-P energy: -86.972
bonds (distance) P-C4' energy: -95.846
flat angles C4'-P-C4' energy: -104.958
flat angles P-C4'-P energy: -61.975
tors. eta vs tors. theta energy: -84.499
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: 5
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -1341.869633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.869633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.869633 (E_RNA)
where:
Base-Base interactions energy: -937.394
where: short stacking energy: -400.710
Base-Backbone interact. energy: -1.737
local terms energy: -402.738613
where:
bonds (distance) C4'-P energy: -92.411
bonds (distance) P-C4' energy: -60.014
flat angles C4'-P-C4' energy: -85.639
flat angles P-C4'-P energy: -66.676
tors. eta vs tors. theta energy: -97.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -1165.163682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.163682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.163682 (E_RNA)
where:
Base-Base interactions energy: -784.235
where: short stacking energy: -321.485
Base-Backbone interact. energy: 1.511
local terms energy: -382.439811
where:
bonds (distance) C4'-P energy: -80.703
bonds (distance) P-C4' energy: -93.622
flat angles C4'-P-C4' energy: -89.585
flat angles P-C4'-P energy: -59.433
tors. eta vs tors. theta energy: -59.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -1064.782124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.782124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.782124 (E_RNA)
where:
Base-Base interactions energy: -705.031
where: short stacking energy: -300.098
Base-Backbone interact. energy: 7.165
local terms energy: -366.915842
where:
bonds (distance) C4'-P energy: -69.520
bonds (distance) P-C4' energy: -98.194
flat angles C4'-P-C4' energy: -87.374
flat angles P-C4'-P energy: -57.359
tors. eta vs tors. theta energy: -54.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -1931.464568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.464568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.464568 (E_RNA)
where:
Base-Base interactions energy: -1374.398
where: short stacking energy: -551.032
Base-Backbone interact. energy: -4.859
local terms energy: -552.207431
where:
bonds (distance) C4'-P energy: -97.687
bonds (distance) P-C4' energy: -99.489
flat angles C4'-P-C4' energy: -121.510
flat angles P-C4'-P energy: -87.563
tors. eta vs tors. theta energy: -145.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -1923.661225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.661225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.661225 (E_RNA)
where:
Base-Base interactions energy: -1365.027
where: short stacking energy: -538.933
Base-Backbone interact. energy: -4.793
local terms energy: -553.841299
where:
bonds (distance) C4'-P energy: -117.269
bonds (distance) P-C4' energy: -96.818
flat angles C4'-P-C4' energy: -118.149
flat angles P-C4'-P energy: -78.494
tors. eta vs tors. theta energy: -143.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -1824.982374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.982374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.982374 (E_RNA)
where:
Base-Base interactions energy: -1293.816
where: short stacking energy: -530.502
Base-Backbone interact. energy: -0.847
local terms energy: -530.319812
where:
bonds (distance) C4'-P energy: -98.351
bonds (distance) P-C4' energy: -86.990
flat angles C4'-P-C4' energy: -114.617
flat angles P-C4'-P energy: -78.634
tors. eta vs tors. theta energy: -151.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -1754.066880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.066880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.066880 (E_RNA)
where:
Base-Base interactions energy: -1234.006
where: short stacking energy: -502.393
Base-Backbone interact. energy: 1.093
local terms energy: -521.153259
where:
bonds (distance) C4'-P energy: -93.034
bonds (distance) P-C4' energy: -98.937
flat angles C4'-P-C4' energy: -106.465
flat angles P-C4'-P energy: -88.155
tors. eta vs tors. theta energy: -134.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -1675.444887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.444887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.444887 (E_RNA)
where:
Base-Base interactions energy: -1168.769
where: short stacking energy: -470.822
Base-Backbone interact. energy: 1.218
local terms energy: -507.893999
where:
bonds (distance) C4'-P energy: -102.992
bonds (distance) P-C4' energy: -97.576
flat angles C4'-P-C4' energy: -106.369
flat angles P-C4'-P energy: -75.023
tors. eta vs tors. theta energy: -125.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -1515.397854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1515.397854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1515.397854 (E_RNA)
where:
Base-Base interactions energy: -1069.751
where: short stacking energy: -442.365
Base-Backbone interact. energy: 1.239
local terms energy: -446.885879
where:
bonds (distance) C4'-P energy: -78.486
bonds (distance) P-C4' energy: -94.905
flat angles C4'-P-C4' energy: -96.363
flat angles P-C4'-P energy: -65.765
tors. eta vs tors. theta energy: -111.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -1371.232066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.232066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.232066 (E_RNA)
where:
Base-Base interactions energy: -932.229
where: short stacking energy: -388.031
Base-Backbone interact. energy: 0.351
local terms energy: -439.353942
where:
bonds (distance) C4'-P energy: -98.134
bonds (distance) P-C4' energy: -92.740
flat angles C4'-P-C4' energy: -99.758
flat angles P-C4'-P energy: -61.744
tors. eta vs tors. theta energy: -86.977
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: 5
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -1338.784603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.784603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.784603 (E_RNA)
where:
Base-Base interactions energy: -920.964
where: short stacking energy: -391.051
Base-Backbone interact. energy: 3.804
local terms energy: -421.624227
where:
bonds (distance) C4'-P energy: -92.100
bonds (distance) P-C4' energy: -87.992
flat angles C4'-P-C4' energy: -92.057
flat angles P-C4'-P energy: -56.724
tors. eta vs tors. theta energy: -92.751
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: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -1183.326325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.326325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.326325 (E_RNA)
where:
Base-Base interactions energy: -815.870
where: short stacking energy: -356.824
Base-Backbone interact. energy: -0.624
local terms energy: -366.832155
where:
bonds (distance) C4'-P energy: -78.715
bonds (distance) P-C4' energy: -74.871
flat angles C4'-P-C4' energy: -77.150
flat angles P-C4'-P energy: -55.571
tors. eta vs tors. theta energy: -80.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -1090.854019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.854019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.854019 (E_RNA)
where:
Base-Base interactions energy: -730.791
where: short stacking energy: -311.627
Base-Backbone interact. energy: -0.635
local terms energy: -359.428553
where:
bonds (distance) C4'-P energy: -85.155
bonds (distance) P-C4' energy: -81.372
flat angles C4'-P-C4' energy: -74.180
flat angles P-C4'-P energy: -65.054
tors. eta vs tors. theta energy: -53.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -1939.849688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.849688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.849688 (E_RNA)
where:
Base-Base interactions energy: -1399.524
where: short stacking energy: -565.448
Base-Backbone interact. energy: -1.444
local terms energy: -538.881843
where:
bonds (distance) C4'-P energy: -90.499
bonds (distance) P-C4' energy: -100.437
flat angles C4'-P-C4' energy: -108.754
flat angles P-C4'-P energy: -84.344
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: 2, replica: 1
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -1926.029232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.029232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.029232 (E_RNA)
where:
Base-Base interactions energy: -1376.127
where: short stacking energy: -536.587
Base-Backbone interact. energy: -2.206
local terms energy: -547.696429
where:
bonds (distance) C4'-P energy: -98.253
bonds (distance) P-C4' energy: -107.456
flat angles C4'-P-C4' energy: -115.502
flat angles P-C4'-P energy: -72.746
tors. eta vs tors. theta energy: -153.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -1806.154991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.154991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.154991 (E_RNA)
where:
Base-Base interactions energy: -1290.568
where: short stacking energy: -510.583
Base-Backbone interact. energy: -1.477
local terms energy: -514.109707
where:
bonds (distance) C4'-P energy: -79.090
bonds (distance) P-C4' energy: -107.490
flat angles C4'-P-C4' energy: -105.203
flat angles P-C4'-P energy: -81.235
tors. eta vs tors. theta energy: -141.093
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: 8
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -1737.809268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.809268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.809268 (E_RNA)
where:
Base-Base interactions energy: -1237.856
where: short stacking energy: -512.568
Base-Backbone interact. energy: -3.340
local terms energy: -496.613859
where:
bonds (distance) C4'-P energy: -90.174
bonds (distance) P-C4' energy: -93.529
flat angles C4'-P-C4' energy: -98.687
flat angles P-C4'-P energy: -75.417
tors. eta vs tors. theta energy: -138.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -1660.636928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.636928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.636928 (E_RNA)
where:
Base-Base interactions energy: -1162.990
where: short stacking energy: -462.742
Base-Backbone interact. energy: -0.379
local terms energy: -497.267979
where:
bonds (distance) C4'-P energy: -86.564
bonds (distance) P-C4' energy: -94.269
flat angles C4'-P-C4' energy: -104.597
flat angles P-C4'-P energy: -84.974
tors. eta vs tors. theta energy: -126.863
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: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -1504.650491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.650491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.650491 (E_RNA)
where:
Base-Base interactions energy: -1040.213
where: short stacking energy: -430.656
Base-Backbone interact. energy: -3.039
local terms energy: -461.397741
where:
bonds (distance) C4'-P energy: -85.425
bonds (distance) P-C4' energy: -85.384
flat angles C4'-P-C4' energy: -105.586
flat angles P-C4'-P energy: -78.436
tors. eta vs tors. theta energy: -106.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -1351.904880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.904880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.904880 (E_RNA)
where:
Base-Base interactions energy: -956.727
where: short stacking energy: -396.469
Base-Backbone interact. energy: -2.438
local terms energy: -392.740218
where:
bonds (distance) C4'-P energy: -84.677
bonds (distance) P-C4' energy: -91.000
flat angles C4'-P-C4' energy: -93.521
flat angles P-C4'-P energy: -47.407
tors. eta vs tors. theta energy: -76.136
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: 8, replica: 5
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -1320.106169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.106169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.106169 (E_RNA)
where:
Base-Base interactions energy: -913.362
where: short stacking energy: -385.981
Base-Backbone interact. energy: -3.263
local terms energy: -403.480803
where:
bonds (distance) C4'-P energy: -82.467
bonds (distance) P-C4' energy: -82.393
flat angles C4'-P-C4' energy: -92.234
flat angles P-C4'-P energy: -62.594
tors. eta vs tors. theta energy: -83.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -1183.520534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.520534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.520534 (E_RNA)
where:
Base-Base interactions energy: -787.396
where: short stacking energy: -327.897
Base-Backbone interact. energy: -0.762
local terms energy: -395.363221
where:
bonds (distance) C4'-P energy: -95.715
bonds (distance) P-C4' energy: -70.624
flat angles C4'-P-C4' energy: -96.633
flat angles P-C4'-P energy: -62.632
tors. eta vs tors. theta energy: -69.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -1085.754473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.754473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.754473 (E_RNA)
where:
Base-Base interactions energy: -725.346
where: short stacking energy: -296.160
Base-Backbone interact. energy: -0.427
local terms energy: -359.981669
where:
bonds (distance) C4'-P energy: -92.640
bonds (distance) P-C4' energy: -77.622
flat angles C4'-P-C4' energy: -86.414
flat angles P-C4'-P energy: -37.261
tors. eta vs tors. theta energy: -66.045
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: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -1942.263173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.263173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.263173 (E_RNA)
where:
Base-Base interactions energy: -1375.720
where: short stacking energy: -529.068
Base-Backbone interact. energy: -2.547
local terms energy: -563.996330
where:
bonds (distance) C4'-P energy: -104.932
bonds (distance) P-C4' energy: -108.169
flat angles C4'-P-C4' energy: -120.256
flat angles P-C4'-P energy: -87.985
tors. eta vs tors. theta energy: -142.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -1885.356504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.356504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.356504 (E_RNA)
where:
Base-Base interactions energy: -1369.937
where: short stacking energy: -528.914
Base-Backbone interact. energy: -0.945
local terms energy: -514.474333
where:
bonds (distance) C4'-P energy: -99.130
bonds (distance) P-C4' energy: -103.397
flat angles C4'-P-C4' energy: -104.312
flat angles P-C4'-P energy: -66.086
tors. eta vs tors. theta energy: -141.549
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: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -1811.995775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.995775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.995775 (E_RNA)
where:
Base-Base interactions energy: -1291.403
where: short stacking energy: -540.891
Base-Backbone interact. energy: -0.360
local terms energy: -520.233200
where:
bonds (distance) C4'-P energy: -101.781
bonds (distance) P-C4' energy: -99.869
flat angles C4'-P-C4' energy: -104.280
flat angles P-C4'-P energy: -70.206
tors. eta vs tors. theta energy: -144.098
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: 8
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -1710.164801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.164801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.164801 (E_RNA)
where:
Base-Base interactions energy: -1197.254
where: short stacking energy: -474.992
Base-Backbone interact. energy: -3.385
local terms energy: -509.526210
where:
bonds (distance) C4'-P energy: -98.689
bonds (distance) P-C4' energy: -108.853
flat angles C4'-P-C4' energy: -102.583
flat angles P-C4'-P energy: -71.254
tors. eta vs tors. theta energy: -128.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -1638.520540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.520540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.520540 (E_RNA)
where:
Base-Base interactions energy: -1168.007
where: short stacking energy: -476.191
Base-Backbone interact. energy: -3.112
local terms energy: -467.401130
where:
bonds (distance) C4'-P energy: -84.008
bonds (distance) P-C4' energy: -92.607
flat angles C4'-P-C4' energy: -100.392
flat angles P-C4'-P energy: -72.596
tors. eta vs tors. theta energy: -117.798
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: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -1493.583666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.583666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.583666 (E_RNA)
where:
Base-Base interactions energy: -1046.031
where: short stacking energy: -444.595
Base-Backbone interact. energy: -0.568
local terms energy: -446.984234
where:
bonds (distance) C4'-P energy: -68.529
bonds (distance) P-C4' energy: -87.085
flat angles C4'-P-C4' energy: -114.086
flat angles P-C4'-P energy: -67.464
tors. eta vs tors. theta energy: -109.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -1359.463882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.463882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.463882 (E_RNA)
where:
Base-Base interactions energy: -944.047
where: short stacking energy: -381.370
Base-Backbone interact. energy: -0.139
local terms energy: -415.278352
where:
bonds (distance) C4'-P energy: -76.033
bonds (distance) P-C4' energy: -106.578
flat angles C4'-P-C4' energy: -92.992
flat angles P-C4'-P energy: -60.818
tors. eta vs tors. theta energy: -78.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -1304.414503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.414503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.414503 (E_RNA)
where:
Base-Base interactions energy: -900.352
where: short stacking energy: -373.504
Base-Backbone interact. energy: -2.843
local terms energy: -401.219430
where:
bonds (distance) C4'-P energy: -85.081
bonds (distance) P-C4' energy: -82.416
flat angles C4'-P-C4' energy: -81.301
flat angles P-C4'-P energy: -63.469
tors. eta vs tors. theta energy: -88.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -1143.918129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.918129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.918129 (E_RNA)
where:
Base-Base interactions energy: -788.797
where: short stacking energy: -333.353
Base-Backbone interact. energy: 2.274
local terms energy: -357.395864
where:
bonds (distance) C4'-P energy: -75.971
bonds (distance) P-C4' energy: -84.610
flat angles C4'-P-C4' energy: -81.052
flat angles P-C4'-P energy: -53.852
tors. eta vs tors. theta energy: -61.911
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: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -1059.843685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.843685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.843685 (E_RNA)
where:
Base-Base interactions energy: -716.669
where: short stacking energy: -310.577
Base-Backbone interact. energy: -1.992
local terms energy: -341.181917
where:
bonds (distance) C4'-P energy: -92.701
bonds (distance) P-C4' energy: -73.903
flat angles C4'-P-C4' energy: -75.975
flat angles P-C4'-P energy: -39.646
tors. eta vs tors. theta energy: -58.956
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: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -1923.420643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.420643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.420643 (E_RNA)
where:
Base-Base interactions energy: -1392.297
where: short stacking energy: -537.905
Base-Backbone interact. energy: -3.173
local terms energy: -527.950434
where:
bonds (distance) C4'-P energy: -90.295
bonds (distance) P-C4' energy: -94.222
flat angles C4'-P-C4' energy: -106.010
flat angles P-C4'-P energy: -83.191
tors. eta vs tors. theta energy: -154.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -1881.793728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.793728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.793728 (E_RNA)
where:
Base-Base interactions energy: -1343.310
where: short stacking energy: -532.487
Base-Backbone interact. energy: 0.702
local terms energy: -539.185818
where:
bonds (distance) C4'-P energy: -86.661
bonds (distance) P-C4' energy: -111.240
flat angles C4'-P-C4' energy: -115.850
flat angles P-C4'-P energy: -78.306
tors. eta vs tors. theta energy: -147.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -1832.232738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.232738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.232738 (E_RNA)
where:
Base-Base interactions energy: -1304.291
where: short stacking energy: -555.374
Base-Backbone interact. energy: 2.301
local terms energy: -530.243088
where:
bonds (distance) C4'-P energy: -85.303
bonds (distance) P-C4' energy: -94.091
flat angles C4'-P-C4' energy: -118.029
flat angles P-C4'-P energy: -81.202
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: 4, replica: 8
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -1715.806391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.806391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.806391 (E_RNA)
where:
Base-Base interactions energy: -1210.252
where: short stacking energy: -500.534
Base-Backbone interact. energy: -1.551
local terms energy: -504.002954
where:
bonds (distance) C4'-P energy: -90.477
bonds (distance) P-C4' energy: -106.444
flat angles C4'-P-C4' energy: -107.239
flat angles P-C4'-P energy: -61.743
tors. eta vs tors. theta energy: -138.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -1606.825640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.825640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.825640 (E_RNA)
where:
Base-Base interactions energy: -1123.771
where: short stacking energy: -464.314
Base-Backbone interact. energy: -1.980
local terms energy: -481.074703
where:
bonds (distance) C4'-P energy: -81.435
bonds (distance) P-C4' energy: -99.598
flat angles C4'-P-C4' energy: -108.728
flat angles P-C4'-P energy: -77.283
tors. eta vs tors. theta energy: -114.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -1431.009831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.009831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.009831 (E_RNA)
where:
Base-Base interactions energy: -956.015
where: short stacking energy: -397.889
Base-Backbone interact. energy: 0.147
local terms energy: -475.142688
where:
bonds (distance) C4'-P energy: -104.803
bonds (distance) P-C4' energy: -98.981
flat angles C4'-P-C4' energy: -110.501
flat angles P-C4'-P energy: -64.126
tors. eta vs tors. theta energy: -96.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -1387.323791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.323791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.323791 (E_RNA)
where:
Base-Base interactions energy: -964.512
where: short stacking energy: -409.283
Base-Backbone interact. energy: -0.361
local terms energy: -422.451237
where:
bonds (distance) C4'-P energy: -83.808
bonds (distance) P-C4' energy: -90.351
flat angles C4'-P-C4' energy: -101.727
flat angles P-C4'-P energy: -51.127
tors. eta vs tors. theta energy: -95.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -1241.728424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.728424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.728424 (E_RNA)
where:
Base-Base interactions energy: -863.936
where: short stacking energy: -351.588
Base-Backbone interact. energy: -2.632
local terms energy: -375.160567
where:
bonds (distance) C4'-P energy: -69.534
bonds (distance) P-C4' energy: -92.922
flat angles C4'-P-C4' energy: -79.027
flat angles P-C4'-P energy: -53.659
tors. eta vs tors. theta energy: -80.018
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: 5
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -1223.458844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.458844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.458844 (E_RNA)
where:
Base-Base interactions energy: -842.553
where: short stacking energy: -310.638
Base-Backbone interact. energy: 4.053
local terms energy: -384.958668
where:
bonds (distance) C4'-P energy: -98.637
bonds (distance) P-C4' energy: -89.358
flat angles C4'-P-C4' energy: -83.518
flat angles P-C4'-P energy: -54.096
tors. eta vs tors. theta energy: -59.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -1100.271144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.271144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.271144 (E_RNA)
where:
Base-Base interactions energy: -715.413
where: short stacking energy: -320.163
Base-Backbone interact. energy: -3.580
local terms energy: -381.278683
where:
bonds (distance) C4'-P energy: -89.949
bonds (distance) P-C4' energy: -98.683
flat angles C4'-P-C4' energy: -82.463
flat angles P-C4'-P energy: -63.831
tors. eta vs tors. theta energy: -46.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -1937.828987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.828987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.828987 (E_RNA)
where:
Base-Base interactions energy: -1378.355
where: short stacking energy: -544.345
Base-Backbone interact. energy: -4.387
local terms energy: -555.086460
where:
bonds (distance) C4'-P energy: -109.511
bonds (distance) P-C4' energy: -107.686
flat angles C4'-P-C4' energy: -111.866
flat angles P-C4'-P energy: -79.708
tors. eta vs tors. theta energy: -146.316
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: 2, replica: 2
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -1882.455324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.455324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.455324 (E_RNA)
where:
Base-Base interactions energy: -1334.826
where: short stacking energy: -537.740
Base-Backbone interact. energy: -2.792
local terms energy: -544.837455
where:
bonds (distance) C4'-P energy: -104.634
bonds (distance) P-C4' energy: -88.511
flat angles C4'-P-C4' energy: -118.719
flat angles P-C4'-P energy: -82.177
tors. eta vs tors. theta energy: -150.797
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: 8
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -1776.817666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.817666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.817666 (E_RNA)
where:
Base-Base interactions energy: -1250.695
where: short stacking energy: -512.593
Base-Backbone interact. energy: -3.183
local terms energy: -522.940419
where:
bonds (distance) C4'-P energy: -99.069
bonds (distance) P-C4' energy: -106.128
flat angles C4'-P-C4' energy: -103.518
flat angles P-C4'-P energy: -77.427
tors. eta vs tors. theta energy: -136.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -1762.501062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.501062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.501062 (E_RNA)
where:
Base-Base interactions energy: -1251.104
where: short stacking energy: -496.530
Base-Backbone interact. energy: -0.924
local terms energy: -510.473081
where:
bonds (distance) C4'-P energy: -78.456
bonds (distance) P-C4' energy: -105.172
flat angles C4'-P-C4' energy: -116.351
flat angles P-C4'-P energy: -71.358
tors. eta vs tors. theta energy: -139.136
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: 3
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -1629.287314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.287314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.287314 (E_RNA)
where:
Base-Base interactions energy: -1145.301
where: short stacking energy: -472.246
Base-Backbone interact. energy: -2.944
local terms energy: -481.042306
where:
bonds (distance) C4'-P energy: -74.545
bonds (distance) P-C4' energy: -90.950
flat angles C4'-P-C4' energy: -112.860
flat angles P-C4'-P energy: -72.044
tors. eta vs tors. theta energy: -130.643
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: 9
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -1434.287998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.287998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.287998 (E_RNA)
where:
Base-Base interactions energy: -1010.707
where: short stacking energy: -429.274
Base-Backbone interact. energy: 0.633
local terms energy: -424.213621
where:
bonds (distance) C4'-P energy: -60.162
bonds (distance) P-C4' energy: -95.947
flat angles C4'-P-C4' energy: -98.397
flat angles P-C4'-P energy: -61.493
tors. eta vs tors. theta energy: -108.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -1391.937406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.937406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.937406 (E_RNA)
where:
Base-Base interactions energy: -967.550
where: short stacking energy: -397.713
Base-Backbone interact. energy: -2.434
local terms energy: -421.953509
where:
bonds (distance) C4'-P energy: -94.124
bonds (distance) P-C4' energy: -83.407
flat angles C4'-P-C4' energy: -97.655
flat angles P-C4'-P energy: -50.830
tors. eta vs tors. theta energy: -95.937
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: 6
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -1261.926943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.926943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.926943 (E_RNA)
where:
Base-Base interactions energy: -871.932
where: short stacking energy: -366.438
Base-Backbone interact. energy: -2.679
local terms energy: -387.315159
where:
bonds (distance) C4'-P energy: -76.729
bonds (distance) P-C4' energy: -86.933
flat angles C4'-P-C4' energy: -80.095
flat angles P-C4'-P energy: -61.611
tors. eta vs tors. theta energy: -81.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -1206.314122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.314122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.314122 (E_RNA)
where:
Base-Base interactions energy: -840.590
where: short stacking energy: -343.767
Base-Backbone interact. energy: 1.273
local terms energy: -366.997670
where:
bonds (distance) C4'-P energy: -80.260
bonds (distance) P-C4' energy: -72.179
flat angles C4'-P-C4' energy: -86.169
flat angles P-C4'-P energy: -62.301
tors. eta vs tors. theta energy: -66.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -1077.330058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.330058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.330058 (E_RNA)
where:
Base-Base interactions energy: -739.041
where: short stacking energy: -313.573
Base-Backbone interact. energy: -1.876
local terms energy: -336.413182
where:
bonds (distance) C4'-P energy: -78.715
bonds (distance) P-C4' energy: -68.483
flat angles C4'-P-C4' energy: -93.953
flat angles P-C4'-P energy: -31.113
tors. eta vs tors. theta energy: -64.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -1932.350472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.350472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.350472 (E_RNA)
where:
Base-Base interactions energy: -1362.597
where: short stacking energy: -527.712
Base-Backbone interact. energy: -1.790
local terms energy: -567.963868
where:
bonds (distance) C4'-P energy: -103.018
bonds (distance) P-C4' energy: -103.756
flat angles C4'-P-C4' energy: -128.682
flat angles P-C4'-P energy: -83.044
tors. eta vs tors. theta energy: -149.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -1877.054809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.054809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.054809 (E_RNA)
where:
Base-Base interactions energy: -1350.829
where: short stacking energy: -533.223
Base-Backbone interact. energy: 0.383
local terms energy: -526.608972
where:
bonds (distance) C4'-P energy: -93.743
bonds (distance) P-C4' energy: -97.074
flat angles C4'-P-C4' energy: -105.454
flat angles P-C4'-P energy: -73.995
tors. eta vs tors. theta energy: -156.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -1788.142413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.142413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.142413 (E_RNA)
where:
Base-Base interactions energy: -1264.184
where: short stacking energy: -526.086
Base-Backbone interact. energy: -1.700
local terms energy: -522.257828
where:
bonds (distance) C4'-P energy: -97.600
bonds (distance) P-C4' energy: -99.267
flat angles C4'-P-C4' energy: -111.756
flat angles P-C4'-P energy: -73.632
tors. eta vs tors. theta energy: -140.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -1787.438422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.438422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.438422 (E_RNA)
where:
Base-Base interactions energy: -1274.926
where: short stacking energy: -516.917
Base-Backbone interact. energy: -0.775
local terms energy: -511.737336
where:
bonds (distance) C4'-P energy: -93.749
bonds (distance) P-C4' energy: -99.590
flat angles C4'-P-C4' energy: -106.557
flat angles P-C4'-P energy: -71.564
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: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -1639.445531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.445531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.445531 (E_RNA)
where:
Base-Base interactions energy: -1158.618
where: short stacking energy: -474.384
Base-Backbone interact. energy: 3.760
local terms energy: -484.588016
where:
bonds (distance) C4'-P energy: -85.435
bonds (distance) P-C4' energy: -108.408
flat angles C4'-P-C4' energy: -94.686
flat angles P-C4'-P energy: -69.094
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: 6, replica: 9
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -1518.769698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.769698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.769698 (E_RNA)
where:
Base-Base interactions energy: -1058.891
where: short stacking energy: -427.951
Base-Backbone interact. energy: -1.790
local terms energy: -458.089042
where:
bonds (distance) C4'-P energy: -78.776
bonds (distance) P-C4' energy: -90.380
flat angles C4'-P-C4' energy: -99.560
flat angles P-C4'-P energy: -74.539
tors. eta vs tors. theta energy: -114.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -1391.794273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.794273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.794273 (E_RNA)
where:
Base-Base interactions energy: -970.153
where: short stacking energy: -417.886
Base-Backbone interact. energy: -0.278
local terms energy: -421.362824
where:
bonds (distance) C4'-P energy: -76.462
bonds (distance) P-C4' energy: -92.559
flat angles C4'-P-C4' energy: -91.884
flat angles P-C4'-P energy: -57.401
tors. eta vs tors. theta energy: -103.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -1267.801248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.801248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.801248 (E_RNA)
where:
Base-Base interactions energy: -887.752
where: short stacking energy: -375.599
Base-Backbone interact. energy: 2.533
local terms energy: -382.582327
where:
bonds (distance) C4'-P energy: -80.015
bonds (distance) P-C4' energy: -71.121
flat angles C4'-P-C4' energy: -95.807
flat angles P-C4'-P energy: -54.414
tors. eta vs tors. theta energy: -81.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -1182.622774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1182.622774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1182.622774 (E_RNA)
where:
Base-Base interactions energy: -775.413
where: short stacking energy: -328.545
Base-Backbone interact. energy: -0.408
local terms energy: -406.801926
where:
bonds (distance) C4'-P energy: -101.179
bonds (distance) P-C4' energy: -100.910
flat angles C4'-P-C4' energy: -84.738
flat angles P-C4'-P energy: -49.422
tors. eta vs tors. theta energy: -70.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -1060.480861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.480861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.480861 (E_RNA)
where:
Base-Base interactions energy: -683.772
where: short stacking energy: -285.515
Base-Backbone interact. energy: -1.151
local terms energy: -375.557410
where:
bonds (distance) C4'-P energy: -69.825
bonds (distance) P-C4' energy: -90.135
flat angles C4'-P-C4' energy: -100.990
flat angles P-C4'-P energy: -51.946
tors. eta vs tors. theta energy: -62.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -1953.370774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.370774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.370774 (E_RNA)
where:
Base-Base interactions energy: -1401.908
where: short stacking energy: -532.002
Base-Backbone interact. energy: 0.983
local terms energy: -552.445895
where:
bonds (distance) C4'-P energy: -99.684
bonds (distance) P-C4' energy: -110.408
flat angles C4'-P-C4' energy: -118.523
flat angles P-C4'-P energy: -81.311
tors. eta vs tors. theta energy: -142.520
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: 86
Temperature: 0.950000
Total energy: -1872.765113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.765113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.765113 (E_RNA)
where:
Base-Base interactions energy: -1338.348
where: short stacking energy: -548.261
Base-Backbone interact. energy: -0.246
local terms energy: -534.170995
where:
bonds (distance) C4'-P energy: -91.495
bonds (distance) P-C4' energy: -108.540
flat angles C4'-P-C4' energy: -119.230
flat angles P-C4'-P energy: -72.231
tors. eta vs tors. theta energy: -142.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -1781.885909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.885909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.885909 (E_RNA)
where:
Base-Base interactions energy: -1250.861
where: short stacking energy: -518.749
Base-Backbone interact. energy: -3.985
local terms energy: -527.039479
where:
bonds (distance) C4'-P energy: -88.244
bonds (distance) P-C4' energy: -97.199
flat angles C4'-P-C4' energy: -115.750
flat angles P-C4'-P energy: -88.208
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: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -1751.965127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.965127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.965127 (E_RNA)
where:
Base-Base interactions energy: -1232.090
where: short stacking energy: -503.124
Base-Backbone interact. energy: -1.763
local terms energy: -518.112228
where:
bonds (distance) C4'-P energy: -91.522
bonds (distance) P-C4' energy: -110.784
flat angles C4'-P-C4' energy: -118.569
flat angles P-C4'-P energy: -63.286
tors. eta vs tors. theta energy: -133.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -1648.144270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.144270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.144270 (E_RNA)
where:
Base-Base interactions energy: -1168.754
where: short stacking energy: -457.052
Base-Backbone interact. energy: 0.195
local terms energy: -479.584762
where:
bonds (distance) C4'-P energy: -94.768
bonds (distance) P-C4' energy: -82.872
flat angles C4'-P-C4' energy: -93.046
flat angles P-C4'-P energy: -83.891
tors. eta vs tors. theta energy: -125.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -1500.459872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.459872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.459872 (E_RNA)
where:
Base-Base interactions energy: -1046.349
where: short stacking energy: -438.786
Base-Backbone interact. energy: 0.456
local terms energy: -454.566991
where:
bonds (distance) C4'-P energy: -87.614
bonds (distance) P-C4' energy: -86.808
flat angles C4'-P-C4' energy: -105.900
flat angles P-C4'-P energy: -64.394
tors. eta vs tors. theta energy: -109.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -1383.890201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.890201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.890201 (E_RNA)
where:
Base-Base interactions energy: -957.865
where: short stacking energy: -397.415
Base-Backbone interact. energy: 0.098
local terms energy: -426.122937
where:
bonds (distance) C4'-P energy: -76.524
bonds (distance) P-C4' energy: -85.889
flat angles C4'-P-C4' energy: -105.874
flat angles P-C4'-P energy: -66.117
tors. eta vs tors. theta energy: -91.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -1267.404669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.404669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.404669 (E_RNA)
where:
Base-Base interactions energy: -866.851
where: short stacking energy: -384.729
Base-Backbone interact. energy: -3.000
local terms energy: -397.553376
where:
bonds (distance) C4'-P energy: -77.635
bonds (distance) P-C4' energy: -90.319
flat angles C4'-P-C4' energy: -84.463
flat angles P-C4'-P energy: -57.869
tors. eta vs tors. theta energy: -87.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -1128.425148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.425148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.425148 (E_RNA)
where:
Base-Base interactions energy: -769.948
where: short stacking energy: -327.207
Base-Backbone interact. energy: -0.464
local terms energy: -358.013329
where:
bonds (distance) C4'-P energy: -86.224
bonds (distance) P-C4' energy: -65.310
flat angles C4'-P-C4' energy: -86.420
flat angles P-C4'-P energy: -51.330
tors. eta vs tors. theta energy: -68.730
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: 6
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -1069.338144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.338144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.338144 (E_RNA)
where:
Base-Base interactions energy: -722.016
where: short stacking energy: -301.812
Base-Backbone interact. energy: 2.001
local terms energy: -349.322442
where:
bonds (distance) C4'-P energy: -70.982
bonds (distance) P-C4' energy: -72.505
flat angles C4'-P-C4' energy: -91.082
flat angles P-C4'-P energy: -54.621
tors. eta vs tors. theta energy: -60.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -1971.384999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.384999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.384999 (E_RNA)
where:
Base-Base interactions energy: -1435.290
where: short stacking energy: -569.029
Base-Backbone interact. energy: -4.237
local terms energy: -531.857822
where:
bonds (distance) C4'-P energy: -97.469
bonds (distance) P-C4' energy: -94.465
flat angles C4'-P-C4' energy: -121.490
flat angles P-C4'-P energy: -72.235
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: 2, replica: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -1906.442905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.442905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.442905 (E_RNA)
where:
Base-Base interactions energy: -1371.898
where: short stacking energy: -547.026
Base-Backbone interact. energy: -2.762
local terms energy: -531.783252
where:
bonds (distance) C4'-P energy: -96.101
bonds (distance) P-C4' energy: -98.559
flat angles C4'-P-C4' energy: -116.205
flat angles P-C4'-P energy: -72.783
tors. eta vs tors. theta energy: -148.135
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: 8
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -1810.354904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.354904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.354904 (E_RNA)
where:
Base-Base interactions energy: -1300.771
where: short stacking energy: -526.928
Base-Backbone interact. energy: 2.359
local terms energy: -511.943630
where:
bonds (distance) C4'-P energy: -79.009
bonds (distance) P-C4' energy: -101.559
flat angles C4'-P-C4' energy: -117.477
flat angles P-C4'-P energy: -74.790
tors. eta vs tors. theta energy: -139.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -1789.293541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.293541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.293541 (E_RNA)
where:
Base-Base interactions energy: -1271.054
where: short stacking energy: -512.806
Base-Backbone interact. energy: -1.941
local terms energy: -516.298810
where:
bonds (distance) C4'-P energy: -94.192
bonds (distance) P-C4' energy: -106.493
flat angles C4'-P-C4' energy: -101.512
flat angles P-C4'-P energy: -79.987
tors. eta vs tors. theta energy: -134.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -1591.918477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.918477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.918477 (E_RNA)
where:
Base-Base interactions energy: -1145.590
where: short stacking energy: -438.202
Base-Backbone interact. energy: 3.068
local terms energy: -449.396496
where:
bonds (distance) C4'-P energy: -87.278
bonds (distance) P-C4' energy: -88.989
flat angles C4'-P-C4' energy: -103.972
flat angles P-C4'-P energy: -68.721
tors. eta vs tors. theta energy: -100.437
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: 9
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -1504.565146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.565146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.565146 (E_RNA)
where:
Base-Base interactions energy: -1031.185
where: short stacking energy: -439.319
Base-Backbone interact. energy: 0.440
local terms energy: -473.819556
where:
bonds (distance) C4'-P energy: -87.939
bonds (distance) P-C4' energy: -91.589
flat angles C4'-P-C4' energy: -110.495
flat angles P-C4'-P energy: -72.497
tors. eta vs tors. theta energy: -111.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -1420.534331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.534331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.534331 (E_RNA)
where:
Base-Base interactions energy: -971.835
where: short stacking energy: -405.656
Base-Backbone interact. energy: -1.830
local terms energy: -446.869242
where:
bonds (distance) C4'-P energy: -84.820
bonds (distance) P-C4' energy: -105.817
flat angles C4'-P-C4' energy: -94.793
flat angles P-C4'-P energy: -58.981
tors. eta vs tors. theta energy: -102.458
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: 5
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -1224.759457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1224.759457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1224.759457 (E_RNA)
where:
Base-Base interactions energy: -831.614
where: short stacking energy: -345.711
Base-Backbone interact. energy: -3.390
local terms energy: -389.755593
where:
bonds (distance) C4'-P energy: -74.997
bonds (distance) P-C4' energy: -88.123
flat angles C4'-P-C4' energy: -91.999
flat angles P-C4'-P energy: -67.666
tors. eta vs tors. theta energy: -66.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -1114.996396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.996396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.996396 (E_RNA)
where:
Base-Base interactions energy: -743.811
where: short stacking energy: -325.699
Base-Backbone interact. energy: -1.201
local terms energy: -369.984965
where:
bonds (distance) C4'-P energy: -71.927
bonds (distance) P-C4' energy: -95.670
flat angles C4'-P-C4' energy: -77.717
flat angles P-C4'-P energy: -53.048
tors. eta vs tors. theta energy: -71.623
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: 6
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -1059.453239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.453239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.453239 (E_RNA)
where:
Base-Base interactions energy: -694.255
where: short stacking energy: -295.163
Base-Backbone interact. energy: -0.012
local terms energy: -365.185710
where:
bonds (distance) C4'-P energy: -87.995
bonds (distance) P-C4' energy: -82.321
flat angles C4'-P-C4' energy: -77.888
flat angles P-C4'-P energy: -58.233
tors. eta vs tors. theta energy: -58.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -1977.943404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.943404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.943404 (E_RNA)
where:
Base-Base interactions energy: -1402.269
where: short stacking energy: -568.340
Base-Backbone interact. energy: -3.389
local terms energy: -572.285872
where:
bonds (distance) C4'-P energy: -105.415
bonds (distance) P-C4' energy: -112.910
flat angles C4'-P-C4' energy: -122.138
flat angles P-C4'-P energy: -72.222
tors. eta vs tors. theta energy: -159.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -1895.853929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.853929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.853929 (E_RNA)
where:
Base-Base interactions energy: -1344.989
where: short stacking energy: -529.481
Base-Backbone interact. energy: -4.877
local terms energy: -545.987690
where:
bonds (distance) C4'-P energy: -95.144
bonds (distance) P-C4' energy: -105.651
flat angles C4'-P-C4' energy: -117.597
flat angles P-C4'-P energy: -83.069
tors. eta vs tors. theta energy: -144.526
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: 3, replica: 4
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -1863.412973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.412973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.412973 (E_RNA)
where:
Base-Base interactions energy: -1331.491
where: short stacking energy: -558.262
Base-Backbone interact. energy: -3.475
local terms energy: -528.447611
where:
bonds (distance) C4'-P energy: -97.477
bonds (distance) P-C4' energy: -100.155
flat angles C4'-P-C4' energy: -110.522
flat angles P-C4'-P energy: -70.346
tors. eta vs tors. theta energy: -149.947
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: 8
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -1766.465076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.465076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.465076 (E_RNA)
where:
Base-Base interactions energy: -1245.032
where: short stacking energy: -511.017
Base-Backbone interact. energy: -3.549
local terms energy: -517.884215
where:
bonds (distance) C4'-P energy: -98.437
bonds (distance) P-C4' energy: -95.126
flat angles C4'-P-C4' energy: -114.406
flat angles P-C4'-P energy: -72.556
tors. eta vs tors. theta energy: -137.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -1640.151007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.151007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.151007 (E_RNA)
where:
Base-Base interactions energy: -1139.368
where: short stacking energy: -461.831
Base-Backbone interact. energy: -2.498
local terms energy: -498.285107
where:
bonds (distance) C4'-P energy: -92.635
bonds (distance) P-C4' energy: -98.001
flat angles C4'-P-C4' energy: -112.070
flat angles P-C4'-P energy: -72.674
tors. eta vs tors. theta energy: -122.906
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: 9
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -1509.329644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.329644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.329644 (E_RNA)
where:
Base-Base interactions energy: -1047.565
where: short stacking energy: -464.893
Base-Backbone interact. energy: -1.551
local terms energy: -460.213416
where:
bonds (distance) C4'-P energy: -89.882
bonds (distance) P-C4' energy: -85.919
flat angles C4'-P-C4' energy: -94.335
flat angles P-C4'-P energy: -72.671
tors. eta vs tors. theta energy: -117.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -1351.926980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.926980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.926980 (E_RNA)
where:
Base-Base interactions energy: -921.192
where: short stacking energy: -376.338
Base-Backbone interact. energy: -1.253
local terms energy: -429.482112
where:
bonds (distance) C4'-P energy: -73.519
bonds (distance) P-C4' energy: -95.413
flat angles C4'-P-C4' energy: -98.180
flat angles P-C4'-P energy: -55.731
tors. eta vs tors. theta energy: -106.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -1329.964519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.964519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.964519 (E_RNA)
where:
Base-Base interactions energy: -919.109
where: short stacking energy: -358.048
Base-Backbone interact. energy: 0.910
local terms energy: -411.765643
where:
bonds (distance) C4'-P energy: -88.751
bonds (distance) P-C4' energy: -83.910
flat angles C4'-P-C4' energy: -103.221
flat angles P-C4'-P energy: -50.202
tors. eta vs tors. theta energy: -85.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -1105.600041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.600041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.600041 (E_RNA)
where:
Base-Base interactions energy: -739.937
where: short stacking energy: -307.210
Base-Backbone interact. energy: 6.967
local terms energy: -372.630551
where:
bonds (distance) C4'-P energy: -72.792
bonds (distance) P-C4' energy: -98.043
flat angles C4'-P-C4' energy: -88.890
flat angles P-C4'-P energy: -58.858
tors. eta vs tors. theta energy: -54.048
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: 6
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -1109.917250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.917250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.917250 (E_RNA)
where:
Base-Base interactions energy: -770.637
where: short stacking energy: -336.834
Base-Backbone interact. energy: 0.097
local terms energy: -339.376713
where:
bonds (distance) C4'-P energy: -79.743
bonds (distance) P-C4' energy: -71.766
flat angles C4'-P-C4' energy: -84.661
flat angles P-C4'-P energy: -34.150
tors. eta vs tors. theta energy: -69.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -1965.293843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.293843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.293843 (E_RNA)
where:
Base-Base interactions energy: -1382.835
where: short stacking energy: -562.191
Base-Backbone interact. energy: -2.951
local terms energy: -579.507945
where:
bonds (distance) C4'-P energy: -104.941
bonds (distance) P-C4' energy: -114.294
flat angles C4'-P-C4' energy: -121.075
flat angles P-C4'-P energy: -77.121
tors. eta vs tors. theta energy: -162.077
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: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -1922.874797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.874797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.874797 (E_RNA)
where:
Base-Base interactions energy: -1380.345
where: short stacking energy: -549.785
Base-Backbone interact. energy: -2.879
local terms energy: -539.650657
where:
bonds (distance) C4'-P energy: -93.345
bonds (distance) P-C4' energy: -97.229
flat angles C4'-P-C4' energy: -120.989
flat angles P-C4'-P energy: -78.661
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: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -1859.734010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.734010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.734010 (E_RNA)
where:
Base-Base interactions energy: -1338.801
where: short stacking energy: -521.562
Base-Backbone interact. energy: -2.372
local terms energy: -518.560999
where:
bonds (distance) C4'-P energy: -92.191
bonds (distance) P-C4' energy: -93.846
flat angles C4'-P-C4' energy: -119.278
flat angles P-C4'-P energy: -69.151
tors. eta vs tors. theta energy: -144.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -1722.939484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.939484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.939484 (E_RNA)
where:
Base-Base interactions energy: -1205.318
where: short stacking energy: -489.109
Base-Backbone interact. energy: -2.110
local terms energy: -515.512269
where:
bonds (distance) C4'-P energy: -90.781
bonds (distance) P-C4' energy: -104.985
flat angles C4'-P-C4' energy: -110.688
flat angles P-C4'-P energy: -76.366
tors. eta vs tors. theta energy: -132.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -1612.720770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1612.720770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1612.720770 (E_RNA)
where:
Base-Base interactions energy: -1140.615
where: short stacking energy: -463.355
Base-Backbone interact. energy: 0.542
local terms energy: -472.647536
where:
bonds (distance) C4'-P energy: -84.558
bonds (distance) P-C4' energy: -94.986
flat angles C4'-P-C4' energy: -103.283
flat angles P-C4'-P energy: -80.004
tors. eta vs tors. theta energy: -109.817
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: 9
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -1489.936657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.936657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.936657 (E_RNA)
where:
Base-Base interactions energy: -1018.444
where: short stacking energy: -431.700
Base-Backbone interact. energy: -2.320
local terms energy: -469.172850
where:
bonds (distance) C4'-P energy: -94.663
bonds (distance) P-C4' energy: -95.434
flat angles C4'-P-C4' energy: -91.487
flat angles P-C4'-P energy: -72.335
tors. eta vs tors. theta energy: -115.254
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: 7, replica: 7
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -1380.832494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.832494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.832494 (E_RNA)
where:
Base-Base interactions energy: -961.467
where: short stacking energy: -401.765
Base-Backbone interact. energy: 1.175
local terms energy: -420.540841
where:
bonds (distance) C4'-P energy: -80.143
bonds (distance) P-C4' energy: -89.266
flat angles C4'-P-C4' energy: -98.851
flat angles P-C4'-P energy: -55.357
tors. eta vs tors. theta energy: -96.925
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: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -1297.863164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.863164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.863164 (E_RNA)
where:
Base-Base interactions energy: -911.905
where: short stacking energy: -371.222
Base-Backbone interact. energy: -1.758
local terms energy: -384.199929
where:
bonds (distance) C4'-P energy: -80.867
bonds (distance) P-C4' energy: -89.675
flat angles C4'-P-C4' energy: -97.964
flat angles P-C4'-P energy: -45.782
tors. eta vs tors. theta energy: -69.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -1084.065279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.065279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.065279 (E_RNA)
where:
Base-Base interactions energy: -723.473
where: short stacking energy: -322.444
Base-Backbone interact. energy: 0.411
local terms energy: -361.002734
where:
bonds (distance) C4'-P energy: -74.197
bonds (distance) P-C4' energy: -66.659
flat angles C4'-P-C4' energy: -88.150
flat angles P-C4'-P energy: -58.142
tors. eta vs tors. theta energy: -73.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -1079.059283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.059283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.059283 (E_RNA)
where:
Base-Base interactions energy: -689.571
where: short stacking energy: -292.091
Base-Backbone interact. energy: -1.581
local terms energy: -387.907792
where:
bonds (distance) C4'-P energy: -80.445
bonds (distance) P-C4' energy: -85.773
flat angles C4'-P-C4' energy: -90.994
flat angles P-C4'-P energy: -62.956
tors. eta vs tors. theta energy: -67.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -1968.119733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.119733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.119733 (E_RNA)
where:
Base-Base interactions energy: -1407.200
where: short stacking energy: -568.475
Base-Backbone interact. energy: -1.899
local terms energy: -559.020033
where:
bonds (distance) C4'-P energy: -103.097
bonds (distance) P-C4' energy: -90.011
flat angles C4'-P-C4' energy: -117.981
flat angles P-C4'-P energy: -82.669
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: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -1913.316499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.316499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.316499 (E_RNA)
where:
Base-Base interactions energy: -1369.774
where: short stacking energy: -514.764
Base-Backbone interact. energy: -2.183
local terms energy: -541.359383
where:
bonds (distance) C4'-P energy: -102.188
bonds (distance) P-C4' energy: -105.490
flat angles C4'-P-C4' energy: -118.010
flat angles P-C4'-P energy: -77.245
tors. eta vs tors. theta energy: -138.427
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: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -1864.605149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.605149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.605149 (E_RNA)
where:
Base-Base interactions energy: -1341.417
where: short stacking energy: -535.796
Base-Backbone interact. energy: -2.789
local terms energy: -520.398471
where:
bonds (distance) C4'-P energy: -91.772
bonds (distance) P-C4' energy: -97.871
flat angles C4'-P-C4' energy: -114.661
flat angles P-C4'-P energy: -70.386
tors. eta vs tors. theta energy: -145.708
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: 8
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -1765.427764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.427764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.427764 (E_RNA)
where:
Base-Base interactions energy: -1269.576
where: short stacking energy: -499.799
Base-Backbone interact. energy: -0.927
local terms energy: -494.924465
where:
bonds (distance) C4'-P energy: -96.687
bonds (distance) P-C4' energy: -95.983
flat angles C4'-P-C4' energy: -108.881
flat angles P-C4'-P energy: -59.553
tors. eta vs tors. theta energy: -133.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -1531.587223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.587223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.587223 (E_RNA)
where:
Base-Base interactions energy: -1051.022
where: short stacking energy: -433.773
Base-Backbone interact. energy: 1.523
local terms energy: -482.088617
where:
bonds (distance) C4'-P energy: -92.514
bonds (distance) P-C4' energy: -103.237
flat angles C4'-P-C4' energy: -108.647
flat angles P-C4'-P energy: -68.617
tors. eta vs tors. theta energy: -109.074
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: 6, replica: 3
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -1518.278735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.278735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.278735 (E_RNA)
where:
Base-Base interactions energy: -1069.812
where: short stacking energy: -429.153
Base-Backbone interact. energy: -1.310
local terms energy: -447.156422
where:
bonds (distance) C4'-P energy: -91.080
bonds (distance) P-C4' energy: -99.157
flat angles C4'-P-C4' energy: -88.509
flat angles P-C4'-P energy: -60.741
tors. eta vs tors. theta energy: -107.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -1407.575519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1407.575519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1407.575519 (E_RNA)
where:
Base-Base interactions energy: -966.993
where: short stacking energy: -401.614
Base-Backbone interact. energy: -0.768
local terms energy: -439.814241
where:
bonds (distance) C4'-P energy: -75.542
bonds (distance) P-C4' energy: -94.462
flat angles C4'-P-C4' energy: -98.932
flat angles P-C4'-P energy: -58.005
tors. eta vs tors. theta energy: -112.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -1321.485161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.485161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.485161 (E_RNA)
where:
Base-Base interactions energy: -922.529
where: short stacking energy: -391.669
Base-Backbone interact. energy: -1.368
local terms energy: -397.587773
where:
bonds (distance) C4'-P energy: -77.200
bonds (distance) P-C4' energy: -95.191
flat angles C4'-P-C4' energy: -92.077
flat angles P-C4'-P energy: -46.783
tors. eta vs tors. theta energy: -86.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -1125.053127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.053127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.053127 (E_RNA)
where:
Base-Base interactions energy: -751.430
where: short stacking energy: -320.454
Base-Backbone interact. energy: 3.776
local terms energy: -377.398677
where:
bonds (distance) C4'-P energy: -86.329
bonds (distance) P-C4' energy: -77.816
flat angles C4'-P-C4' energy: -88.458
flat angles P-C4'-P energy: -51.995
tors. eta vs tors. theta energy: -72.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -1077.529359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.529359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.529359 (E_RNA)
where:
Base-Base interactions energy: -728.692
where: short stacking energy: -293.373
Base-Backbone interact. energy: 3.126
local terms energy: -351.962763
where:
bonds (distance) C4'-P energy: -79.945
bonds (distance) P-C4' energy: -77.952
flat angles C4'-P-C4' energy: -94.979
flat angles P-C4'-P energy: -47.998
tors. eta vs tors. theta energy: -51.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -1963.661423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.661423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.661423 (E_RNA)
where:
Base-Base interactions energy: -1402.326
where: short stacking energy: -574.784
Base-Backbone interact. energy: -2.141
local terms energy: -559.194555
where:
bonds (distance) C4'-P energy: -88.866
bonds (distance) P-C4' energy: -101.101
flat angles C4'-P-C4' energy: -126.953
flat angles P-C4'-P energy: -85.832
tors. eta vs tors. theta energy: -156.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -1926.052919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.052919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.052919 (E_RNA)
where:
Base-Base interactions energy: -1383.131
where: short stacking energy: -545.204
Base-Backbone interact. energy: 4.661
local terms energy: -547.582877
where:
bonds (distance) C4'-P energy: -98.176
bonds (distance) P-C4' energy: -108.796
flat angles C4'-P-C4' energy: -116.435
flat angles P-C4'-P energy: -77.419
tors. eta vs tors. theta energy: -146.757
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: 4
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -1814.795846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.795846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.795846 (E_RNA)
where:
Base-Base interactions energy: -1296.362
where: short stacking energy: -537.146
Base-Backbone interact. energy: -0.811
local terms energy: -517.622460
where:
bonds (distance) C4'-P energy: -91.471
bonds (distance) P-C4' energy: -94.187
flat angles C4'-P-C4' energy: -113.439
flat angles P-C4'-P energy: -75.928
tors. eta vs tors. theta energy: -142.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -1775.333890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.333890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.333890 (E_RNA)
where:
Base-Base interactions energy: -1253.637
where: short stacking energy: -507.074
Base-Backbone interact. energy: -3.793
local terms energy: -517.904328
where:
bonds (distance) C4'-P energy: -92.517
bonds (distance) P-C4' energy: -96.023
flat angles C4'-P-C4' energy: -112.450
flat angles P-C4'-P energy: -72.876
tors. eta vs tors. theta energy: -144.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -1554.376658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1554.376658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1554.376658 (E_RNA)
where:
Base-Base interactions energy: -1070.632
where: short stacking energy: -452.151
Base-Backbone interact. energy: -0.276
local terms energy: -483.469080
where:
bonds (distance) C4'-P energy: -112.685
bonds (distance) P-C4' energy: -92.987
flat angles C4'-P-C4' energy: -96.754
flat angles P-C4'-P energy: -66.283
tors. eta vs tors. theta energy: -114.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -1581.125080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.125080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.125080 (E_RNA)
where:
Base-Base interactions energy: -1114.194
where: short stacking energy: -453.279
Base-Backbone interact. energy: -4.363
local terms energy: -462.567904
where:
bonds (distance) C4'-P energy: -73.849
bonds (distance) P-C4' energy: -84.678
flat angles C4'-P-C4' energy: -107.855
flat angles P-C4'-P energy: -75.750
tors. eta vs tors. theta energy: -120.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -1426.160624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.160624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.160624 (E_RNA)
where:
Base-Base interactions energy: -978.173
where: short stacking energy: -416.583
Base-Backbone interact. energy: -0.956
local terms energy: -447.031439
where:
bonds (distance) C4'-P energy: -91.942
bonds (distance) P-C4' energy: -81.197
flat angles C4'-P-C4' energy: -101.129
flat angles P-C4'-P energy: -69.033
tors. eta vs tors. theta energy: -103.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -1334.311270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.311270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.311270 (E_RNA)
where:
Base-Base interactions energy: -926.915
where: short stacking energy: -376.876
Base-Backbone interact. energy: -3.229
local terms energy: -404.167238
where:
bonds (distance) C4'-P energy: -82.156
bonds (distance) P-C4' energy: -93.873
flat angles C4'-P-C4' energy: -89.889
flat angles P-C4'-P energy: -53.919
tors. eta vs tors. theta energy: -84.331
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: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -1130.230012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.230012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.230012 (E_RNA)
where:
Base-Base interactions energy: -769.119
where: short stacking energy: -337.681
Base-Backbone interact. energy: 0.117
local terms energy: -361.227664
where:
bonds (distance) C4'-P energy: -81.092
bonds (distance) P-C4' energy: -78.912
flat angles C4'-P-C4' energy: -81.374
flat angles P-C4'-P energy: -47.532
tors. eta vs tors. theta energy: -72.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -1046.823150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.823150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.823150 (E_RNA)
where:
Base-Base interactions energy: -718.026
where: short stacking energy: -309.601
Base-Backbone interact. energy: -2.238
local terms energy: -326.559031
where:
bonds (distance) C4'-P energy: -59.690
bonds (distance) P-C4' energy: -85.765
flat angles C4'-P-C4' energy: -74.667
flat angles P-C4'-P energy: -58.052
tors. eta vs tors. theta energy: -48.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -1985.206880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1985.206880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1985.206880 (E_RNA)
where:
Base-Base interactions energy: -1441.414
where: short stacking energy: -570.183
Base-Backbone interact. energy: 0.622
local terms energy: -544.414543
where:
bonds (distance) C4'-P energy: -101.644
bonds (distance) P-C4' energy: -100.825
flat angles C4'-P-C4' energy: -111.176
flat angles P-C4'-P energy: -71.487
tors. eta vs tors. theta energy: -159.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -1936.991641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.991641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.991641 (E_RNA)
where:
Base-Base interactions energy: -1410.233
where: short stacking energy: -553.470
Base-Backbone interact. energy: -1.323
local terms energy: -525.435555
where:
bonds (distance) C4'-P energy: -93.211
bonds (distance) P-C4' energy: -104.685
flat angles C4'-P-C4' energy: -112.074
flat angles P-C4'-P energy: -77.289
tors. eta vs tors. theta energy: -138.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -1864.787929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.787929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.787929 (E_RNA)
where:
Base-Base interactions energy: -1324.924
where: short stacking energy: -532.254
Base-Backbone interact. energy: -1.717
local terms energy: -538.147190
where:
bonds (distance) C4'-P energy: -96.019
bonds (distance) P-C4' energy: -96.193
flat angles C4'-P-C4' energy: -118.616
flat angles P-C4'-P energy: -85.276
tors. eta vs tors. theta energy: -142.043
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: 4, replica: 8
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -1753.078644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.078644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.078644 (E_RNA)
where:
Base-Base interactions energy: -1233.085
where: short stacking energy: -494.756
Base-Backbone interact. energy: -1.839
local terms energy: -518.154336
where:
bonds (distance) C4'-P energy: -105.237
bonds (distance) P-C4' energy: -95.349
flat angles C4'-P-C4' energy: -110.817
flat angles P-C4'-P energy: -65.766
tors. eta vs tors. theta energy: -140.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -1566.101349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.101349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.101349 (E_RNA)
where:
Base-Base interactions energy: -1102.835
where: short stacking energy: -467.482
Base-Backbone interact. energy: 0.958
local terms energy: -464.224345
where:
bonds (distance) C4'-P energy: -76.836
bonds (distance) P-C4' energy: -96.906
flat angles C4'-P-C4' energy: -106.490
flat angles P-C4'-P energy: -64.476
tors. eta vs tors. theta energy: -119.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -1517.635280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.635280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.635280 (E_RNA)
where:
Base-Base interactions energy: -1071.163
where: short stacking energy: -419.759
Base-Backbone interact. energy: 4.192
local terms energy: -450.664342
where:
bonds (distance) C4'-P energy: -87.815
bonds (distance) P-C4' energy: -80.186
flat angles C4'-P-C4' energy: -110.558
flat angles P-C4'-P energy: -64.560
tors. eta vs tors. theta energy: -107.545
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: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -1428.778156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.778156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.778156 (E_RNA)
where:
Base-Base interactions energy: -1010.102
where: short stacking energy: -410.077
Base-Backbone interact. energy: -2.965
local terms energy: -415.710679
where:
bonds (distance) C4'-P energy: -79.967
bonds (distance) P-C4' energy: -75.112
flat angles C4'-P-C4' energy: -98.666
flat angles P-C4'-P energy: -60.791
tors. eta vs tors. theta energy: -101.176
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: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -1345.206358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.206358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.206358 (E_RNA)
where:
Base-Base interactions energy: -920.723
where: short stacking energy: -363.181
Base-Backbone interact. energy: -1.899
local terms energy: -422.584721
where:
bonds (distance) C4'-P energy: -91.335
bonds (distance) P-C4' energy: -87.526
flat angles C4'-P-C4' energy: -103.473
flat angles P-C4'-P energy: -53.668
tors. eta vs tors. theta energy: -86.582
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: 6
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -1134.468664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.468664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.468664 (E_RNA)
where:
Base-Base interactions energy: -753.837
where: short stacking energy: -316.622
Base-Backbone interact. energy: 0.548
local terms energy: -381.179962
where:
bonds (distance) C4'-P energy: -89.692
bonds (distance) P-C4' energy: -81.670
flat angles C4'-P-C4' energy: -85.797
flat angles P-C4'-P energy: -50.374
tors. eta vs tors. theta energy: -73.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -1045.743109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.743109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.743109 (E_RNA)
where:
Base-Base interactions energy: -715.678
where: short stacking energy: -296.380
Base-Backbone interact. energy: 6.038
local terms energy: -336.103506
where:
bonds (distance) C4'-P energy: -78.896
bonds (distance) P-C4' energy: -78.942
flat angles C4'-P-C4' energy: -88.484
flat angles P-C4'-P energy: -54.324
tors. eta vs tors. theta energy: -35.457
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: 1, replica: 1
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -1938.539661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.539661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.539661 (E_RNA)
where:
Base-Base interactions energy: -1388.246
where: short stacking energy: -541.955
Base-Backbone interact. energy: -1.075
local terms energy: -549.218285
where:
bonds (distance) C4'-P energy: -108.578
bonds (distance) P-C4' energy: -96.509
flat angles C4'-P-C4' energy: -119.383
flat angles P-C4'-P energy: -74.079
tors. eta vs tors. theta energy: -150.669
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: 93
Temperature: 0.950000
Total energy: -1916.585214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.585214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.585214 (E_RNA)
where:
Base-Base interactions energy: -1367.159
where: short stacking energy: -556.597
Base-Backbone interact. energy: -3.714
local terms energy: -545.711936
where:
bonds (distance) C4'-P energy: -91.625
bonds (distance) P-C4' energy: -112.417
flat angles C4'-P-C4' energy: -116.532
flat angles P-C4'-P energy: -73.074
tors. eta vs tors. theta energy: -152.063
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: 93
Temperature: 1.000000
Total energy: -1861.314566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.314566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.314566 (E_RNA)
where:
Base-Base interactions energy: -1342.677
where: short stacking energy: -544.453
Base-Backbone interact. energy: 4.142
local terms energy: -522.779996
where:
bonds (distance) C4'-P energy: -104.179
bonds (distance) P-C4' energy: -93.457
flat angles C4'-P-C4' energy: -110.921
flat angles P-C4'-P energy: -64.508
tors. eta vs tors. theta energy: -149.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -1740.308501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.308501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.308501 (E_RNA)
where:
Base-Base interactions energy: -1248.681
where: short stacking energy: -484.070
Base-Backbone interact. energy: 1.366
local terms energy: -492.993724
where:
bonds (distance) C4'-P energy: -88.023
bonds (distance) P-C4' energy: -96.636
flat angles C4'-P-C4' energy: -100.588
flat angles P-C4'-P energy: -80.734
tors. eta vs tors. theta energy: -127.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -1598.077582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.077582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.077582 (E_RNA)
where:
Base-Base interactions energy: -1123.439
where: short stacking energy: -455.529
Base-Backbone interact. energy: -2.965
local terms energy: -471.673419
where:
bonds (distance) C4'-P energy: -88.947
bonds (distance) P-C4' energy: -86.545
flat angles C4'-P-C4' energy: -107.715
flat angles P-C4'-P energy: -74.293
tors. eta vs tors. theta energy: -114.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -1544.902144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.902144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.902144 (E_RNA)
where:
Base-Base interactions energy: -1088.678
where: short stacking energy: -439.709
Base-Backbone interact. energy: 1.337
local terms energy: -457.560596
where:
bonds (distance) C4'-P energy: -86.663
bonds (distance) P-C4' energy: -94.846
flat angles C4'-P-C4' energy: -101.501
flat angles P-C4'-P energy: -74.794
tors. eta vs tors. theta energy: -99.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -1377.669035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.669035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.669035 (E_RNA)
where:
Base-Base interactions energy: -948.341
where: short stacking energy: -404.649
Base-Backbone interact. energy: 0.807
local terms energy: -430.135030
where:
bonds (distance) C4'-P energy: -86.232
bonds (distance) P-C4' energy: -91.810
flat angles C4'-P-C4' energy: -88.742
flat angles P-C4'-P energy: -62.562
tors. eta vs tors. theta energy: -100.789
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: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -1326.274651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.274651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.274651 (E_RNA)
where:
Base-Base interactions energy: -932.372
where: short stacking energy: -379.024
Base-Backbone interact. energy: -1.381
local terms energy: -392.521625
where:
bonds (distance) C4'-P energy: -84.408
bonds (distance) P-C4' energy: -81.215
flat angles C4'-P-C4' energy: -84.771
flat angles P-C4'-P energy: -60.386
tors. eta vs tors. theta energy: -81.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -1152.764721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.764721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.764721 (E_RNA)
where:
Base-Base interactions energy: -767.182
where: short stacking energy: -341.441
Base-Backbone interact. energy: -1.776
local terms energy: -383.806786
where:
bonds (distance) C4'-P energy: -79.320
bonds (distance) P-C4' energy: -89.702
flat angles C4'-P-C4' energy: -87.238
flat angles P-C4'-P energy: -55.335
tors. eta vs tors. theta energy: -72.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -1064.710731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1064.710731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1064.710731 (E_RNA)
where:
Base-Base interactions energy: -728.820
where: short stacking energy: -305.393
Base-Backbone interact. energy: -1.825
local terms energy: -334.065694
where:
bonds (distance) C4'-P energy: -74.686
bonds (distance) P-C4' energy: -73.273
flat angles C4'-P-C4' energy: -83.909
flat angles P-C4'-P energy: -57.919
tors. eta vs tors. theta energy: -44.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -1945.574000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.574000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.574000 (E_RNA)
where:
Base-Base interactions energy: -1387.548
where: short stacking energy: -558.007
Base-Backbone interact. energy: -1.929
local terms energy: -556.097824
where:
bonds (distance) C4'-P energy: -110.336
bonds (distance) P-C4' energy: -110.639
flat angles C4'-P-C4' energy: -116.990
flat angles P-C4'-P energy: -67.988
tors. eta vs tors. theta energy: -150.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -1914.030598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.030598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.030598 (E_RNA)
where:
Base-Base interactions energy: -1365.451
where: short stacking energy: -538.866
Base-Backbone interact. energy: -1.631
local terms energy: -546.948712
where:
bonds (distance) C4'-P energy: -95.793
bonds (distance) P-C4' energy: -106.313
flat angles C4'-P-C4' energy: -122.127
flat angles P-C4'-P energy: -66.294
tors. eta vs tors. theta energy: -156.422
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: 4
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -1899.621267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.621267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.621267 (E_RNA)
where:
Base-Base interactions energy: -1353.024
where: short stacking energy: -542.405
Base-Backbone interact. energy: 2.023
local terms energy: -548.620584
where:
bonds (distance) C4'-P energy: -96.894
bonds (distance) P-C4' energy: -107.220
flat angles C4'-P-C4' energy: -114.036
flat angles P-C4'-P energy: -84.078
tors. eta vs tors. theta energy: -146.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -1729.191914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.191914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.191914 (E_RNA)
where:
Base-Base interactions energy: -1214.293
where: short stacking energy: -497.447
Base-Backbone interact. energy: -0.641
local terms energy: -514.257583
where:
bonds (distance) C4'-P energy: -93.010
bonds (distance) P-C4' energy: -78.470
flat angles C4'-P-C4' energy: -116.629
flat angles P-C4'-P energy: -90.304
tors. eta vs tors. theta energy: -135.843
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: 5, replica: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -1584.320982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1584.320982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1584.320982 (E_RNA)
where:
Base-Base interactions energy: -1103.617
where: short stacking energy: -463.197
Base-Backbone interact. energy: -2.886
local terms energy: -477.818607
where:
bonds (distance) C4'-P energy: -89.008
bonds (distance) P-C4' energy: -98.937
flat angles C4'-P-C4' energy: -103.253
flat angles P-C4'-P energy: -54.731
tors. eta vs tors. theta energy: -131.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -1609.223506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.223506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.223506 (E_RNA)
where:
Base-Base interactions energy: -1128.838
where: short stacking energy: -457.020
Base-Backbone interact. energy: -1.114
local terms energy: -479.271163
where:
bonds (distance) C4'-P energy: -98.816
bonds (distance) P-C4' energy: -89.480
flat angles C4'-P-C4' energy: -95.985
flat angles P-C4'-P energy: -74.997
tors. eta vs tors. theta energy: -119.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -1353.736920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.736920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.736920 (E_RNA)
where:
Base-Base interactions energy: -939.902
where: short stacking energy: -399.091
Base-Backbone interact. energy: -1.819
local terms energy: -412.015643
where:
bonds (distance) C4'-P energy: -69.736
bonds (distance) P-C4' energy: -98.508
flat angles C4'-P-C4' energy: -87.109
flat angles P-C4'-P energy: -71.609
tors. eta vs tors. theta energy: -85.054
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: 94
Temperature: 1.250000
Total energy: -1412.980666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.980666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.980666 (E_RNA)
where:
Base-Base interactions energy: -989.190
where: short stacking energy: -413.128
Base-Backbone interact. energy: -1.889
local terms energy: -421.901159
where:
bonds (distance) C4'-P energy: -80.838
bonds (distance) P-C4' energy: -83.924
flat angles C4'-P-C4' energy: -90.852
flat angles P-C4'-P energy: -62.685
tors. eta vs tors. theta energy: -103.602
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: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -1129.446247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.446247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.446247 (E_RNA)
where:
Base-Base interactions energy: -770.537
where: short stacking energy: -334.807
Base-Backbone interact. energy: -0.366
local terms energy: -358.544099
where:
bonds (distance) C4'-P energy: -84.112
bonds (distance) P-C4' energy: -79.735
flat angles C4'-P-C4' energy: -78.837
flat angles P-C4'-P energy: -46.327
tors. eta vs tors. theta energy: -69.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -1057.510910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.510910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.510910 (E_RNA)
where:
Base-Base interactions energy: -717.279
where: short stacking energy: -300.937
Base-Backbone interact. energy: 2.434
local terms energy: -342.665990
where:
bonds (distance) C4'-P energy: -83.334
bonds (distance) P-C4' energy: -69.533
flat angles C4'-P-C4' energy: -89.415
flat angles P-C4'-P energy: -52.028
tors. eta vs tors. theta energy: -48.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -1954.880465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.880465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.880465 (E_RNA)
where:
Base-Base interactions energy: -1385.577
where: short stacking energy: -528.574
Base-Backbone interact. energy: -0.225
local terms energy: -569.077694
where:
bonds (distance) C4'-P energy: -105.730
bonds (distance) P-C4' energy: -109.941
flat angles C4'-P-C4' energy: -119.615
flat angles P-C4'-P energy: -89.287
tors. eta vs tors. theta energy: -144.504
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: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -1929.054090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.054090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.054090 (E_RNA)
where:
Base-Base interactions energy: -1378.161
where: short stacking energy: -562.710
Base-Backbone interact. energy: -3.497
local terms energy: -547.396111
where:
bonds (distance) C4'-P energy: -102.300
bonds (distance) P-C4' energy: -106.091
flat angles C4'-P-C4' energy: -112.513
flat angles P-C4'-P energy: -78.810
tors. eta vs tors. theta energy: -147.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -1873.571904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.571904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.571904 (E_RNA)
where:
Base-Base interactions energy: -1335.801
where: short stacking energy: -536.660
Base-Backbone interact. energy: -2.717
local terms energy: -535.054058
where:
bonds (distance) C4'-P energy: -109.494
bonds (distance) P-C4' energy: -103.503
flat angles C4'-P-C4' energy: -104.112
flat angles P-C4'-P energy: -77.717
tors. eta vs tors. theta energy: -140.228
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: 8
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -1753.141931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.141931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.141931 (E_RNA)
where:
Base-Base interactions energy: -1250.747
where: short stacking energy: -502.396
Base-Backbone interact. energy: -1.406
local terms energy: -500.988817
where:
bonds (distance) C4'-P energy: -94.091
bonds (distance) P-C4' energy: -95.066
flat angles C4'-P-C4' energy: -106.947
flat angles P-C4'-P energy: -77.496
tors. eta vs tors. theta energy: -127.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -1595.957521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1595.957521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1595.957521 (E_RNA)
where:
Base-Base interactions energy: -1086.301
where: short stacking energy: -458.418
Base-Backbone interact. energy: -1.382
local terms energy: -508.275214
where:
bonds (distance) C4'-P energy: -84.192
bonds (distance) P-C4' energy: -106.248
flat angles C4'-P-C4' energy: -110.969
flat angles P-C4'-P energy: -76.655
tors. eta vs tors. theta energy: -130.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -1561.435875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.435875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.435875 (E_RNA)
where:
Base-Base interactions energy: -1106.793
where: short stacking energy: -443.937
Base-Backbone interact. energy: -2.018
local terms energy: -452.625610
where:
bonds (distance) C4'-P energy: -77.194
bonds (distance) P-C4' energy: -100.541
flat angles C4'-P-C4' energy: -90.414
flat angles P-C4'-P energy: -63.827
tors. eta vs tors. theta energy: -120.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -1364.698250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.698250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.698250 (E_RNA)
where:
Base-Base interactions energy: -939.962
where: short stacking energy: -388.176
Base-Backbone interact. energy: 3.180
local terms energy: -427.916297
where:
bonds (distance) C4'-P energy: -96.466
bonds (distance) P-C4' energy: -96.486
flat angles C4'-P-C4' energy: -100.708
flat angles P-C4'-P energy: -49.623
tors. eta vs tors. theta energy: -84.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -1421.718309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.718309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.718309 (E_RNA)
where:
Base-Base interactions energy: -985.982
where: short stacking energy: -403.850
Base-Backbone interact. energy: -1.227
local terms energy: -434.509932
where:
bonds (distance) C4'-P energy: -91.243
bonds (distance) P-C4' energy: -88.892
flat angles C4'-P-C4' energy: -85.118
flat angles P-C4'-P energy: -63.709
tors. eta vs tors. theta energy: -105.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -1161.834407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.834407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.834407 (E_RNA)
where:
Base-Base interactions energy: -766.312
where: short stacking energy: -315.641
Base-Backbone interact. energy: -0.604
local terms energy: -394.918498
where:
bonds (distance) C4'-P energy: -93.878
bonds (distance) P-C4' energy: -98.898
flat angles C4'-P-C4' energy: -80.103
flat angles P-C4'-P energy: -61.343
tors. eta vs tors. theta energy: -60.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -1101.839690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.839690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.839690 (E_RNA)
where:
Base-Base interactions energy: -736.913
where: short stacking energy: -305.405
Base-Backbone interact. energy: -0.157
local terms energy: -364.770157
where:
bonds (distance) C4'-P energy: -80.524
bonds (distance) P-C4' energy: -83.964
flat angles C4'-P-C4' energy: -91.431
flat angles P-C4'-P energy: -62.391
tors. eta vs tors. theta energy: -46.461
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: 96
Temperature: 0.900000
Total energy: -1968.486339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.486339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.486339 (E_RNA)
where:
Base-Base interactions energy: -1427.082
where: short stacking energy: -543.774
Base-Backbone interact. energy: -2.001
local terms energy: -539.404016
where:
bonds (distance) C4'-P energy: -87.519
bonds (distance) P-C4' energy: -109.459
flat angles C4'-P-C4' energy: -111.334
flat angles P-C4'-P energy: -81.726
tors. eta vs tors. theta energy: -149.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -1902.159775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.159775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.159775 (E_RNA)
where:
Base-Base interactions energy: -1344.165
where: short stacking energy: -562.083
Base-Backbone interact. energy: -3.824
local terms energy: -554.170665
where:
bonds (distance) C4'-P energy: -91.785
bonds (distance) P-C4' energy: -109.940
flat angles C4'-P-C4' energy: -118.017
flat angles P-C4'-P energy: -79.861
tors. eta vs tors. theta energy: -154.567
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: 3, replica: 1
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -1888.151254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.151254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.151254 (E_RNA)
where:
Base-Base interactions energy: -1344.621
where: short stacking energy: -554.973
Base-Backbone interact. energy: 4.338
local terms energy: -547.868519
where:
bonds (distance) C4'-P energy: -91.863
bonds (distance) P-C4' energy: -107.473
flat angles C4'-P-C4' energy: -116.405
flat angles P-C4'-P energy: -73.054
tors. eta vs tors. theta energy: -159.072
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: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -1715.809296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.809296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.809296 (E_RNA)
where:
Base-Base interactions energy: -1235.501
where: short stacking energy: -485.458
Base-Backbone interact. energy: -1.004
local terms energy: -479.304455
where:
bonds (distance) C4'-P energy: -102.254
bonds (distance) P-C4' energy: -83.947
flat angles C4'-P-C4' energy: -108.074
flat angles P-C4'-P energy: -62.288
tors. eta vs tors. theta energy: -122.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -1607.983105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1607.983105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1607.983105 (E_RNA)
where:
Base-Base interactions energy: -1120.391
where: short stacking energy: -491.799
Base-Backbone interact. energy: -0.681
local terms energy: -486.911136
where:
bonds (distance) C4'-P energy: -88.790
bonds (distance) P-C4' energy: -90.608
flat angles C4'-P-C4' energy: -104.393
flat angles P-C4'-P energy: -66.325
tors. eta vs tors. theta energy: -136.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -1540.827606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.827606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.827606 (E_RNA)
where:
Base-Base interactions energy: -1114.119
where: short stacking energy: -479.151
Base-Backbone interact. energy: -2.106
local terms energy: -424.602291
where:
bonds (distance) C4'-P energy: -65.932
bonds (distance) P-C4' energy: -80.036
flat angles C4'-P-C4' energy: -98.718
flat angles P-C4'-P energy: -66.997
tors. eta vs tors. theta energy: -112.919
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: 7, replica: 7
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -1456.718515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.718515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.718515 (E_RNA)
where:
Base-Base interactions energy: -1000.030
where: short stacking energy: -422.656
Base-Backbone interact. energy: -1.159
local terms energy: -455.529566
where:
bonds (distance) C4'-P energy: -62.280
bonds (distance) P-C4' energy: -95.664
flat angles C4'-P-C4' energy: -109.506
flat angles P-C4'-P energy: -78.054
tors. eta vs tors. theta energy: -110.025
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: 5
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -1329.935060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.935060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.935060 (E_RNA)
where:
Base-Base interactions energy: -931.527
where: short stacking energy: -376.364
Base-Backbone interact. energy: -1.571
local terms energy: -396.836401
where:
bonds (distance) C4'-P energy: -72.867
bonds (distance) P-C4' energy: -93.443
flat angles C4'-P-C4' energy: -89.837
flat angles P-C4'-P energy: -51.323
tors. eta vs tors. theta energy: -89.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -1130.232034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.232034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.232034 (E_RNA)
where:
Base-Base interactions energy: -770.552
where: short stacking energy: -342.137
Base-Backbone interact. energy: 0.720
local terms energy: -360.399674
where:
bonds (distance) C4'-P energy: -84.982
bonds (distance) P-C4' energy: -86.555
flat angles C4'-P-C4' energy: -75.460
flat angles P-C4'-P energy: -44.807
tors. eta vs tors. theta energy: -68.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -1047.370716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.370716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.370716 (E_RNA)
where:
Base-Base interactions energy: -711.227
where: short stacking energy: -281.356
Base-Backbone interact. energy: 0.942
local terms energy: -337.085907
where:
bonds (distance) C4'-P energy: -67.323
bonds (distance) P-C4' energy: -79.074
flat angles C4'-P-C4' energy: -97.888
flat angles P-C4'-P energy: -55.602
tors. eta vs tors. theta energy: -37.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -1943.985103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.985103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.985103 (E_RNA)
where:
Base-Base interactions energy: -1390.041
where: short stacking energy: -546.259
Base-Backbone interact. energy: -2.020
local terms energy: -551.924081
where:
bonds (distance) C4'-P energy: -99.748
bonds (distance) P-C4' energy: -106.605
flat angles C4'-P-C4' energy: -119.426
flat angles P-C4'-P energy: -72.908
tors. eta vs tors. theta energy: -153.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -1906.666114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.666114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.666114 (E_RNA)
where:
Base-Base interactions energy: -1355.453
where: short stacking energy: -539.358
Base-Backbone interact. energy: -1.136
local terms energy: -550.077100
where:
bonds (distance) C4'-P energy: -95.537
bonds (distance) P-C4' energy: -105.200
flat angles C4'-P-C4' energy: -109.510
flat angles P-C4'-P energy: -83.302
tors. eta vs tors. theta energy: -156.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -1900.237484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.237484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.237484 (E_RNA)
where:
Base-Base interactions energy: -1348.388
where: short stacking energy: -532.219
Base-Backbone interact. energy: -4.239
local terms energy: -547.610546
where:
bonds (distance) C4'-P energy: -98.795
bonds (distance) P-C4' energy: -106.056
flat angles C4'-P-C4' energy: -111.840
flat angles P-C4'-P energy: -82.642
tors. eta vs tors. theta energy: -148.277
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: 8
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -1711.402282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.402282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.402282 (E_RNA)
where:
Base-Base interactions energy: -1230.540
where: short stacking energy: -468.762
Base-Backbone interact. energy: 2.461
local terms energy: -483.323528
where:
bonds (distance) C4'-P energy: -99.596
bonds (distance) P-C4' energy: -87.640
flat angles C4'-P-C4' energy: -106.559
flat angles P-C4'-P energy: -71.829
tors. eta vs tors. theta energy: -117.700
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: 9
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -1586.439053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.439053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.439053 (E_RNA)
where:
Base-Base interactions energy: -1129.358
where: short stacking energy: -458.658
Base-Backbone interact. energy: -2.003
local terms energy: -455.077196
where:
bonds (distance) C4'-P energy: -95.984
bonds (distance) P-C4' energy: -90.944
flat angles C4'-P-C4' energy: -102.235
flat angles P-C4'-P energy: -70.048
tors. eta vs tors. theta energy: -95.867
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: 3
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -1573.446989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.446989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.446989 (E_RNA)
where:
Base-Base interactions energy: -1108.977
where: short stacking energy: -437.782
Base-Backbone interact. energy: -2.430
local terms energy: -462.040261
where:
bonds (distance) C4'-P energy: -78.315
bonds (distance) P-C4' energy: -90.242
flat angles C4'-P-C4' energy: -113.476
flat angles P-C4'-P energy: -79.332
tors. eta vs tors. theta energy: -100.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -1417.984657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.984657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.984657 (E_RNA)
where:
Base-Base interactions energy: -990.963
where: short stacking energy: -416.904
Base-Backbone interact. energy: -2.715
local terms energy: -424.306847
where:
bonds (distance) C4'-P energy: -83.945
bonds (distance) P-C4' energy: -71.846
flat angles C4'-P-C4' energy: -102.187
flat angles P-C4'-P energy: -67.346
tors. eta vs tors. theta energy: -98.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -1280.522553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1280.522553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1280.522553 (E_RNA)
where:
Base-Base interactions energy: -867.343
where: short stacking energy: -366.761
Base-Backbone interact. energy: 0.494
local terms energy: -413.673850
where:
bonds (distance) C4'-P energy: -88.213
bonds (distance) P-C4' energy: -84.749
flat angles C4'-P-C4' energy: -102.358
flat angles P-C4'-P energy: -56.530
tors. eta vs tors. theta energy: -81.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -1204.150426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.150426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.150426 (E_RNA)
where:
Base-Base interactions energy: -813.150
where: short stacking energy: -338.015
Base-Backbone interact. energy: -0.021
local terms energy: -390.978980
where:
bonds (distance) C4'-P energy: -84.713
bonds (distance) P-C4' energy: -91.722
flat angles C4'-P-C4' energy: -78.858
flat angles P-C4'-P energy: -58.615
tors. eta vs tors. theta energy: -77.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -1097.215640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.215640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.215640 (E_RNA)
where:
Base-Base interactions energy: -744.133
where: short stacking energy: -307.946
Base-Backbone interact. energy: -2.118
local terms energy: -350.964091
where:
bonds (distance) C4'-P energy: -89.267
bonds (distance) P-C4' energy: -68.684
flat angles C4'-P-C4' energy: -76.312
flat angles P-C4'-P energy: -65.733
tors. eta vs tors. theta energy: -50.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -1912.415368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.415368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.415368 (E_RNA)
where:
Base-Base interactions energy: -1354.757
where: short stacking energy: -537.325
Base-Backbone interact. energy: -1.646
local terms energy: -556.011998
where:
bonds (distance) C4'-P energy: -100.126
bonds (distance) P-C4' energy: -110.164
flat angles C4'-P-C4' energy: -119.397
flat angles P-C4'-P energy: -79.095
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: 2, replica: 2
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -1884.392252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.392252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.392252 (E_RNA)
where:
Base-Base interactions energy: -1375.186
where: short stacking energy: -546.277
Base-Backbone interact. energy: -3.901
local terms energy: -505.305464
where:
bonds (distance) C4'-P energy: -85.794
bonds (distance) P-C4' energy: -90.875
flat angles C4'-P-C4' energy: -110.420
flat angles P-C4'-P energy: -74.951
tors. eta vs tors. theta energy: -143.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -1848.626329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.626329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.626329 (E_RNA)
where:
Base-Base interactions energy: -1321.140
where: short stacking energy: -517.426
Base-Backbone interact. energy: -1.830
local terms energy: -525.656346
where:
bonds (distance) C4'-P energy: -92.502
bonds (distance) P-C4' energy: -100.954
flat angles C4'-P-C4' energy: -111.485
flat angles P-C4'-P energy: -73.424
tors. eta vs tors. theta energy: -147.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -1736.008955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.008955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.008955 (E_RNA)
where:
Base-Base interactions energy: -1235.664
where: short stacking energy: -483.724
Base-Backbone interact. energy: -3.302
local terms energy: -497.042214
where:
bonds (distance) C4'-P energy: -82.974
bonds (distance) P-C4' energy: -100.873
flat angles C4'-P-C4' energy: -108.343
flat angles P-C4'-P energy: -79.573
tors. eta vs tors. theta energy: -125.279
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: 9
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -1617.789602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.789602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.789602 (E_RNA)
where:
Base-Base interactions energy: -1118.074
where: short stacking energy: -479.735
Base-Backbone interact. energy: -2.275
local terms energy: -497.440887
where:
bonds (distance) C4'-P energy: -92.108
bonds (distance) P-C4' energy: -91.359
flat angles C4'-P-C4' energy: -108.530
flat angles P-C4'-P energy: -78.462
tors. eta vs tors. theta energy: -126.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -1601.408787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.408787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.408787 (E_RNA)
where:
Base-Base interactions energy: -1120.597
where: short stacking energy: -438.380
Base-Backbone interact. energy: -3.545
local terms energy: -477.266975
where:
bonds (distance) C4'-P energy: -90.152
bonds (distance) P-C4' energy: -102.492
flat angles C4'-P-C4' energy: -105.930
flat angles P-C4'-P energy: -67.572
tors. eta vs tors. theta energy: -111.121
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: 5
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -1343.355435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.355435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.355435 (E_RNA)
where:
Base-Base interactions energy: -921.126
where: short stacking energy: -413.851
Base-Backbone interact. energy: 0.326
local terms energy: -422.555087
where:
bonds (distance) C4'-P energy: -88.571
bonds (distance) P-C4' energy: -80.059
flat angles C4'-P-C4' energy: -94.824
flat angles P-C4'-P energy: -68.378
tors. eta vs tors. theta energy: -90.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -1344.516384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.516384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.516384 (E_RNA)
where:
Base-Base interactions energy: -923.302
where: short stacking energy: -378.172
Base-Backbone interact. energy: -2.653
local terms energy: -418.561363
where:
bonds (distance) C4'-P energy: -92.271
bonds (distance) P-C4' energy: -89.934
flat angles C4'-P-C4' energy: -78.423
flat angles P-C4'-P energy: -68.908
tors. eta vs tors. theta energy: -89.025
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: 6
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -1249.842084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.842084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.842084 (E_RNA)
where:
Base-Base interactions energy: -836.556
where: short stacking energy: -344.488
Base-Backbone interact. energy: 1.334
local terms energy: -414.620280
where:
bonds (distance) C4'-P energy: -88.975
bonds (distance) P-C4' energy: -91.726
flat angles C4'-P-C4' energy: -90.678
flat angles P-C4'-P energy: -60.913
tors. eta vs tors. theta energy: -82.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -1063.176601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1063.176601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1063.176601 (E_RNA)
where:
Base-Base interactions energy: -715.687
where: short stacking energy: -302.848
Base-Backbone interact. energy: 1.755
local terms energy: -349.245348
where:
bonds (distance) C4'-P energy: -78.721
bonds (distance) P-C4' energy: -86.953
flat angles C4'-P-C4' energy: -66.159
flat angles P-C4'-P energy: -46.926
tors. eta vs tors. theta energy: -70.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -1962.148660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.148660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.148660 (E_RNA)
where:
Base-Base interactions energy: -1414.710
where: short stacking energy: -559.132
Base-Backbone interact. energy: -2.115
local terms energy: -545.323996
where:
bonds (distance) C4'-P energy: -91.564
bonds (distance) P-C4' energy: -104.068
flat angles C4'-P-C4' energy: -116.442
flat angles P-C4'-P energy: -79.491
tors. eta vs tors. theta energy: -153.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -1908.316448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.316448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.316448 (E_RNA)
where:
Base-Base interactions energy: -1333.808
where: short stacking energy: -540.978
Base-Backbone interact. energy: -0.626
local terms energy: -573.882794
where:
bonds (distance) C4'-P energy: -102.840
bonds (distance) P-C4' energy: -103.953
flat angles C4'-P-C4' energy: -126.281
flat angles P-C4'-P energy: -87.121
tors. eta vs tors. theta energy: -153.688
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: 2
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -1855.674843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.674843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.674843 (E_RNA)
where:
Base-Base interactions energy: -1338.063
where: short stacking energy: -547.334
Base-Backbone interact. energy: 1.672
local terms energy: -519.284047
where:
bonds (distance) C4'-P energy: -90.014
bonds (distance) P-C4' energy: -98.391
flat angles C4'-P-C4' energy: -118.546
flat angles P-C4'-P energy: -70.727
tors. eta vs tors. theta energy: -141.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -1738.648046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.648046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.648046 (E_RNA)
where:
Base-Base interactions energy: -1231.174
where: short stacking energy: -493.002
Base-Backbone interact. energy: -1.917
local terms energy: -505.556767
where:
bonds (distance) C4'-P energy: -105.985
bonds (distance) P-C4' energy: -84.536
flat angles C4'-P-C4' energy: -111.596
flat angles P-C4'-P energy: -76.651
tors. eta vs tors. theta energy: -126.789
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: 9
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -1562.999279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.999279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.999279 (E_RNA)
where:
Base-Base interactions energy: -1060.804
where: short stacking energy: -448.412
Base-Backbone interact. energy: -3.451
local terms energy: -498.744200
where:
bonds (distance) C4'-P energy: -92.934
bonds (distance) P-C4' energy: -97.932
flat angles C4'-P-C4' energy: -112.117
flat angles P-C4'-P energy: -74.930
tors. eta vs tors. theta energy: -120.831
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: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -1566.776794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1566.776794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1566.776794 (E_RNA)
where:
Base-Base interactions energy: -1105.619
where: short stacking energy: -463.976
Base-Backbone interact. energy: 4.047
local terms energy: -465.204928
where:
bonds (distance) C4'-P energy: -87.880
bonds (distance) P-C4' energy: -91.543
flat angles C4'-P-C4' energy: -98.726
flat angles P-C4'-P energy: -62.882
tors. eta vs tors. theta energy: -124.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -1297.306181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.306181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.306181 (E_RNA)
where:
Base-Base interactions energy: -893.672
where: short stacking energy: -351.056
Base-Backbone interact. energy: 0.828
local terms energy: -404.461539
where:
bonds (distance) C4'-P energy: -74.897
bonds (distance) P-C4' energy: -101.394
flat angles C4'-P-C4' energy: -85.487
flat angles P-C4'-P energy: -72.590
tors. eta vs tors. theta energy: -70.093
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: 99
Temperature: 1.250000
Total energy: -1330.686692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.686692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.686692 (E_RNA)
where:
Base-Base interactions energy: -921.660
where: short stacking energy: -383.385
Base-Backbone interact. energy: 1.470
local terms energy: -410.496704
where:
bonds (distance) C4'-P energy: -72.153
bonds (distance) P-C4' energy: -99.470
flat angles C4'-P-C4' energy: -97.572
flat angles P-C4'-P energy: -59.109
tors. eta vs tors. theta energy: -82.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -1226.675208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1226.675208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1226.675208 (E_RNA)
where:
Base-Base interactions energy: -798.022
where: short stacking energy: -358.795
Base-Backbone interact. energy: -0.818
local terms energy: -427.835138
where:
bonds (distance) C4'-P energy: -91.399
bonds (distance) P-C4' energy: -84.854
flat angles C4'-P-C4' energy: -94.528
flat angles P-C4'-P energy: -63.329
tors. eta vs tors. theta energy: -93.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -1067.273819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.273819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.273819 (E_RNA)
where:
Base-Base interactions energy: -726.867
where: short stacking energy: -308.340
Base-Backbone interact. energy: 1.554
local terms energy: -341.961102
where:
bonds (distance) C4'-P energy: -71.309
bonds (distance) P-C4' energy: -86.219
flat angles C4'-P-C4' energy: -85.930
flat angles P-C4'-P energy: -54.056
tors. eta vs tors. theta energy: -44.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -1932.899858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.899858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.899858 (E_RNA)
where:
Base-Base interactions energy: -1362.523
where: short stacking energy: -548.242
Base-Backbone interact. energy: -1.057
local terms energy: -569.319576
where:
bonds (distance) C4'-P energy: -113.109
bonds (distance) P-C4' energy: -99.717
flat angles C4'-P-C4' energy: -119.695
flat angles P-C4'-P energy: -75.703
tors. eta vs tors. theta energy: -161.095
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: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -1917.855060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.855060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.855060 (E_RNA)
where:
Base-Base interactions energy: -1362.058
where: short stacking energy: -552.637
Base-Backbone interact. energy: -2.411
local terms energy: -553.385727
where:
bonds (distance) C4'-P energy: -106.112
bonds (distance) P-C4' energy: -85.055
flat angles C4'-P-C4' energy: -123.644
flat angles P-C4'-P energy: -83.914
tors. eta vs tors. theta energy: -154.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -1848.685028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.685028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.685028 (E_RNA)
where:
Base-Base interactions energy: -1321.868
where: short stacking energy: -533.447
Base-Backbone interact. energy: -0.741
local terms energy: -526.075928
where:
bonds (distance) C4'-P energy: -97.723
bonds (distance) P-C4' energy: -94.940
flat angles C4'-P-C4' energy: -120.928
flat angles P-C4'-P energy: -69.680
tors. eta vs tors. theta energy: -142.805
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: 8
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -1739.396245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.396245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.396245 (E_RNA)
where:
Base-Base interactions energy: -1228.935
where: short stacking energy: -471.861
Base-Backbone interact. energy: -0.715
local terms energy: -509.746409
where:
bonds (distance) C4'-P energy: -106.093
bonds (distance) P-C4' energy: -88.634
flat angles C4'-P-C4' energy: -108.312
flat angles P-C4'-P energy: -80.790
tors. eta vs tors. theta energy: -125.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -1647.910867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.910867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.910867 (E_RNA)
where:
Base-Base interactions energy: -1132.886
where: short stacking energy: -495.983
Base-Backbone interact. energy: -1.044
local terms energy: -513.980608
where:
bonds (distance) C4'-P energy: -97.388
bonds (distance) P-C4' energy: -89.887
flat angles C4'-P-C4' energy: -106.708
flat angles P-C4'-P energy: -80.371
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: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -1531.810725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.810725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.810725 (E_RNA)
where:
Base-Base interactions energy: -1092.695
where: short stacking energy: -453.815
Base-Backbone interact. energy: -0.701
local terms energy: -438.414986
where:
bonds (distance) C4'-P energy: -80.147
bonds (distance) P-C4' energy: -92.907
flat angles C4'-P-C4' energy: -94.784
flat angles P-C4'-P energy: -54.109
tors. eta vs tors. theta energy: -116.469
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: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -1309.556015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.556015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.556015 (E_RNA)
where:
Base-Base interactions energy: -903.388
where: short stacking energy: -372.015
Base-Backbone interact. energy: -2.546
local terms energy: -403.621758
where:
bonds (distance) C4'-P energy: -75.490
bonds (distance) P-C4' energy: -94.672
flat angles C4'-P-C4' energy: -97.678
flat angles P-C4'-P energy: -67.176
tors. eta vs tors. theta energy: -68.606
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: 100
Temperature: 1.250000
Total energy: -1369.135526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.135526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.135526 (E_RNA)
where:
Base-Base interactions energy: -949.250
where: short stacking energy: -395.717
Base-Backbone interact. energy: -1.206
local terms energy: -418.679885
where:
bonds (distance) C4'-P energy: -70.741
bonds (distance) P-C4' energy: -88.092
flat angles C4'-P-C4' energy: -95.415
flat angles P-C4'-P energy: -64.566
tors. eta vs tors. theta energy: -99.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -1116.788324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.788324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.788324 (E_RNA)
where:
Base-Base interactions energy: -752.119
where: short stacking energy: -331.646
Base-Backbone interact. energy: 0.960
local terms energy: -365.629867
where:
bonds (distance) C4'-P energy: -85.258
bonds (distance) P-C4' energy: -72.887
flat angles C4'-P-C4' energy: -84.344
flat angles P-C4'-P energy: -56.521
tors. eta vs tors. theta energy: -66.620
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: 10, replica: 10
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -1078.465617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.465617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.465617 (E_RNA)
where:
Base-Base interactions energy: -721.859
where: short stacking energy: -314.416
Base-Backbone interact. energy: 2.932
local terms energy: -359.538788
where:
bonds (distance) C4'-P energy: -81.809
bonds (distance) P-C4' energy: -97.866
flat angles C4'-P-C4' energy: -70.662
flat angles P-C4'-P energy: -50.528
tors. eta vs tors. theta energy: -58.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -1948.223783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.223783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.223783 (E_RNA)
where:
Base-Base interactions energy: -1373.258
where: short stacking energy: -563.330
Base-Backbone interact. energy: -5.230
local terms energy: -569.735971
where:
bonds (distance) C4'-P energy: -103.025
bonds (distance) P-C4' energy: -101.011
flat angles C4'-P-C4' energy: -124.178
flat angles P-C4'-P energy: -80.011
tors. eta vs tors. theta energy: -161.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -1903.252466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.252466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.252466 (E_RNA)
where:
Base-Base interactions energy: -1338.205
where: short stacking energy: -556.879
Base-Backbone interact. energy: 0.550
local terms energy: -565.597362
where:
bonds (distance) C4'-P energy: -105.000
bonds (distance) P-C4' energy: -117.071
flat angles C4'-P-C4' energy: -108.891
flat angles P-C4'-P energy: -75.331
tors. eta vs tors. theta energy: -159.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -1836.487541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.487541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.487541 (E_RNA)
where:
Base-Base interactions energy: -1318.461
where: short stacking energy: -488.609
Base-Backbone interact. energy: -4.504
local terms energy: -513.522801
where:
bonds (distance) C4'-P energy: -87.722
bonds (distance) P-C4' energy: -97.530
flat angles C4'-P-C4' energy: -120.663
flat angles P-C4'-P energy: -70.005
tors. eta vs tors. theta energy: -137.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -1750.388235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.388235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.388235 (E_RNA)
where:
Base-Base interactions energy: -1237.491
where: short stacking energy: -499.333
Base-Backbone interact. energy: -1.048
local terms energy: -511.848931
where:
bonds (distance) C4'-P energy: -95.074
bonds (distance) P-C4' energy: -91.798
flat angles C4'-P-C4' energy: -112.344
flat angles P-C4'-P energy: -73.285
tors. eta vs tors. theta energy: -139.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -1634.200656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.200656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.200656 (E_RNA)
where:
Base-Base interactions energy: -1123.124
where: short stacking energy: -496.734
Base-Backbone interact. energy: -2.028
local terms energy: -509.048651
where:
bonds (distance) C4'-P energy: -96.607
bonds (distance) P-C4' energy: -95.130
flat angles C4'-P-C4' energy: -112.916
flat angles P-C4'-P energy: -64.520
tors. eta vs tors. theta energy: -139.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -1549.139927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.139927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.139927 (E_RNA)
where:
Base-Base interactions energy: -1095.487
where: short stacking energy: -453.367
Base-Backbone interact. energy: -2.808
local terms energy: -450.845294
where:
bonds (distance) C4'-P energy: -74.052
bonds (distance) P-C4' energy: -92.239
flat angles C4'-P-C4' energy: -103.860
flat angles P-C4'-P energy: -57.625
tors. eta vs tors. theta energy: -123.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -1324.833042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.833042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.833042 (E_RNA)
where:
Base-Base interactions energy: -890.315
where: short stacking energy: -382.923
Base-Backbone interact. energy: 1.676
local terms energy: -436.194603
where:
bonds (distance) C4'-P energy: -79.117
bonds (distance) P-C4' energy: -88.982
flat angles C4'-P-C4' energy: -99.805
flat angles P-C4'-P energy: -67.304
tors. eta vs tors. theta energy: -100.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -1395.111921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.111921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.111921 (E_RNA)
where:
Base-Base interactions energy: -951.313
where: short stacking energy: -412.713
Base-Backbone interact. energy: 1.337
local terms energy: -445.135880
where:
bonds (distance) C4'-P energy: -93.977
bonds (distance) P-C4' energy: -92.119
flat angles C4'-P-C4' energy: -85.643
flat angles P-C4'-P energy: -59.164
tors. eta vs tors. theta energy: -114.233
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: 9, replica: 6
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -1073.740306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.740306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.740306 (E_RNA)
where:
Base-Base interactions energy: -700.375
where: short stacking energy: -313.170
Base-Backbone interact. energy: -1.765
local terms energy: -371.600995
where:
bonds (distance) C4'-P energy: -77.523
bonds (distance) P-C4' energy: -85.317
flat angles C4'-P-C4' energy: -76.024
flat angles P-C4'-P energy: -53.397
tors. eta vs tors. theta energy: -79.341
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: 10
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -1056.312326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.312326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.312326 (E_RNA)
where:
Base-Base interactions energy: -712.868
where: short stacking energy: -291.570
Base-Backbone interact. energy: 0.380
local terms energy: -343.823969
where:
bonds (distance) C4'-P energy: -74.128
bonds (distance) P-C4' energy: -69.861
flat angles C4'-P-C4' energy: -85.408
flat angles P-C4'-P energy: -57.424
tors. eta vs tors. theta energy: -57.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -1952.062619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.062619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.062619 (E_RNA)
where:
Base-Base interactions energy: -1385.298
where: short stacking energy: -570.671
Base-Backbone interact. energy: -5.084
local terms energy: -561.680826
where:
bonds (distance) C4'-P energy: -107.256
bonds (distance) P-C4' energy: -106.077
flat angles C4'-P-C4' energy: -122.807
flat angles P-C4'-P energy: -67.369
tors. eta vs tors. theta energy: -158.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -1900.502588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.502588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.502588 (E_RNA)
where:
Base-Base interactions energy: -1359.557
where: short stacking energy: -550.852
Base-Backbone interact. energy: 0.009
local terms energy: -540.954338
where:
bonds (distance) C4'-P energy: -105.199
bonds (distance) P-C4' energy: -110.663
flat angles C4'-P-C4' energy: -111.330
flat angles P-C4'-P energy: -58.457
tors. eta vs tors. theta energy: -155.305
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: 3, replica: 2
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -1823.047866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.047866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.047866 (E_RNA)
where:
Base-Base interactions energy: -1324.317
where: short stacking energy: -521.001
Base-Backbone interact. energy: -2.955
local terms energy: -495.775571
where:
bonds (distance) C4'-P energy: -95.331
bonds (distance) P-C4' energy: -78.890
flat angles C4'-P-C4' energy: -110.720
flat angles P-C4'-P energy: -76.703
tors. eta vs tors. theta energy: -134.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -1761.270108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.270108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.270108 (E_RNA)
where:
Base-Base interactions energy: -1253.991
where: short stacking energy: -516.155
Base-Backbone interact. energy: -0.899
local terms energy: -506.380148
where:
bonds (distance) C4'-P energy: -95.279
bonds (distance) P-C4' energy: -91.911
flat angles C4'-P-C4' energy: -101.255
flat angles P-C4'-P energy: -81.857
tors. eta vs tors. theta energy: -136.077
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: 9
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -1642.829760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.829760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.829760 (E_RNA)
where:
Base-Base interactions energy: -1143.319
where: short stacking energy: -510.830
Base-Backbone interact. energy: 4.362
local terms energy: -503.872204
where:
bonds (distance) C4'-P energy: -79.935
bonds (distance) P-C4' energy: -95.320
flat angles C4'-P-C4' energy: -114.777
flat angles P-C4'-P energy: -70.023
tors. eta vs tors. theta energy: -143.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -1536.337855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.337855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.337855 (E_RNA)
where:
Base-Base interactions energy: -1089.715
where: short stacking energy: -449.305
Base-Backbone interact. energy: 0.512
local terms energy: -447.134136
where:
bonds (distance) C4'-P energy: -82.467
bonds (distance) P-C4' energy: -87.995
flat angles C4'-P-C4' energy: -101.620
flat angles P-C4'-P energy: -71.930
tors. eta vs tors. theta energy: -103.122
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: 7, replica: 7
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -1455.474733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.474733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.474733 (E_RNA)
where:
Base-Base interactions energy: -1007.625
where: short stacking energy: -419.566
Base-Backbone interact. energy: -0.883
local terms energy: -446.966808
where:
bonds (distance) C4'-P energy: -102.566
bonds (distance) P-C4' energy: -86.999
flat angles C4'-P-C4' energy: -98.123
flat angles P-C4'-P energy: -61.879
tors. eta vs tors. theta energy: -97.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -1275.947168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.947168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.947168 (E_RNA)
where:
Base-Base interactions energy: -859.964
where: short stacking energy: -355.977
Base-Backbone interact. energy: -1.864
local terms energy: -414.119424
where:
bonds (distance) C4'-P energy: -84.119
bonds (distance) P-C4' energy: -80.815
flat angles C4'-P-C4' energy: -100.432
flat angles P-C4'-P energy: -60.444
tors. eta vs tors. theta energy: -88.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -1128.674979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.674979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.674979 (E_RNA)
where:
Base-Base interactions energy: -745.988
where: short stacking energy: -327.659
Base-Backbone interact. energy: 4.400
local terms energy: -387.086807
where:
bonds (distance) C4'-P energy: -83.573
bonds (distance) P-C4' energy: -84.176
flat angles C4'-P-C4' energy: -90.880
flat angles P-C4'-P energy: -57.477
tors. eta vs tors. theta energy: -70.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -1038.890156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.890156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.890156 (E_RNA)
where:
Base-Base interactions energy: -670.410
where: short stacking energy: -298.144
Base-Backbone interact. energy: 0.415
local terms energy: -368.894738
where:
bonds (distance) C4'-P energy: -77.304
bonds (distance) P-C4' energy: -94.766
flat angles C4'-P-C4' energy: -93.606
flat angles P-C4'-P energy: -55.935
tors. eta vs tors. theta energy: -47.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -1969.415364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.415364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.415364 (E_RNA)
where:
Base-Base interactions energy: -1402.436
where: short stacking energy: -569.789
Base-Backbone interact. energy: -1.600
local terms energy: -565.379964
where:
bonds (distance) C4'-P energy: -93.003
bonds (distance) P-C4' energy: -115.928
flat angles C4'-P-C4' energy: -116.540
flat angles P-C4'-P energy: -78.436
tors. eta vs tors. theta energy: -161.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -1886.030160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.030160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.030160 (E_RNA)
where:
Base-Base interactions energy: -1331.007
where: short stacking energy: -539.899
Base-Backbone interact. energy: -2.313
local terms energy: -552.710493
where:
bonds (distance) C4'-P energy: -102.680
bonds (distance) P-C4' energy: -107.013
flat angles C4'-P-C4' energy: -115.773
flat angles P-C4'-P energy: -73.656
tors. eta vs tors. theta energy: -153.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -1838.910383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.910383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.910383 (E_RNA)
where:
Base-Base interactions energy: -1293.245
where: short stacking energy: -514.717
Base-Backbone interact. energy: 3.765
local terms energy: -549.430750
where:
bonds (distance) C4'-P energy: -96.682
bonds (distance) P-C4' energy: -117.070
flat angles C4'-P-C4' energy: -114.126
flat angles P-C4'-P energy: -79.699
tors. eta vs tors. theta energy: -141.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -1760.494843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.494843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.494843 (E_RNA)
where:
Base-Base interactions energy: -1266.131
where: short stacking energy: -509.641
Base-Backbone interact. energy: 1.987
local terms energy: -496.351427
where:
bonds (distance) C4'-P energy: -97.516
bonds (distance) P-C4' energy: -89.683
flat angles C4'-P-C4' energy: -109.849
flat angles P-C4'-P energy: -67.522
tors. eta vs tors. theta energy: -131.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -1620.461194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.461194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.461194 (E_RNA)
where:
Base-Base interactions energy: -1150.503
where: short stacking energy: -482.534
Base-Backbone interact. energy: -1.083
local terms energy: -468.875542
where:
bonds (distance) C4'-P energy: -85.669
bonds (distance) P-C4' energy: -91.141
flat angles C4'-P-C4' energy: -103.589
flat angles P-C4'-P energy: -52.919
tors. eta vs tors. theta energy: -135.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -1547.118870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1547.118870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1547.118870 (E_RNA)
where:
Base-Base interactions energy: -1096.634
where: short stacking energy: -446.119
Base-Backbone interact. energy: -1.212
local terms energy: -449.273637
where:
bonds (distance) C4'-P energy: -68.864
bonds (distance) P-C4' energy: -102.671
flat angles C4'-P-C4' energy: -104.748
flat angles P-C4'-P energy: -60.290
tors. eta vs tors. theta energy: -112.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -1405.255622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.255622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.255622 (E_RNA)
where:
Base-Base interactions energy: -949.862
where: short stacking energy: -422.170
Base-Backbone interact. energy: -0.850
local terms energy: -454.542847
where:
bonds (distance) C4'-P energy: -78.824
bonds (distance) P-C4' energy: -106.497
flat angles C4'-P-C4' energy: -93.008
flat angles P-C4'-P energy: -67.906
tors. eta vs tors. theta energy: -108.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -1332.770695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.770695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.770695 (E_RNA)
where:
Base-Base interactions energy: -898.057
where: short stacking energy: -386.521
Base-Backbone interact. energy: -1.720
local terms energy: -432.993976
where:
bonds (distance) C4'-P energy: -95.907
bonds (distance) P-C4' energy: -98.043
flat angles C4'-P-C4' energy: -91.300
flat angles P-C4'-P energy: -63.347
tors. eta vs tors. theta energy: -84.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -1113.410036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.410036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.410036 (E_RNA)
where:
Base-Base interactions energy: -787.863
where: short stacking energy: -335.329
Base-Backbone interact. energy: 1.442
local terms energy: -326.989138
where:
bonds (distance) C4'-P energy: -67.622
bonds (distance) P-C4' energy: -79.643
flat angles C4'-P-C4' energy: -77.118
flat angles P-C4'-P energy: -47.908
tors. eta vs tors. theta energy: -54.698
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: 6
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -1047.565860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.565860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.565860 (E_RNA)
where:
Base-Base interactions energy: -695.033
where: short stacking energy: -317.671
Base-Backbone interact. energy: -1.802
local terms energy: -350.730598
where:
bonds (distance) C4'-P energy: -71.887
bonds (distance) P-C4' energy: -89.213
flat angles C4'-P-C4' energy: -78.316
flat angles P-C4'-P energy: -48.071
tors. eta vs tors. theta energy: -63.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -1953.646884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.646884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.646884 (E_RNA)
where:
Base-Base interactions energy: -1386.339
where: short stacking energy: -566.029
Base-Backbone interact. energy: 0.493
local terms energy: -567.800621
where:
bonds (distance) C4'-P energy: -103.047
bonds (distance) P-C4' energy: -105.731
flat angles C4'-P-C4' energy: -120.781
flat angles P-C4'-P energy: -77.694
tors. eta vs tors. theta energy: -160.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -1880.402802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.402802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.402802 (E_RNA)
where:
Base-Base interactions energy: -1342.399
where: short stacking energy: -552.002
Base-Backbone interact. energy: -3.109
local terms energy: -534.895199
where:
bonds (distance) C4'-P energy: -96.701
bonds (distance) P-C4' energy: -109.413
flat angles C4'-P-C4' energy: -117.636
flat angles P-C4'-P energy: -69.202
tors. eta vs tors. theta energy: -141.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -1799.579474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.579474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.579474 (E_RNA)
where:
Base-Base interactions energy: -1275.134
where: short stacking energy: -509.508
Base-Backbone interact. energy: 2.265
local terms energy: -526.711347
where:
bonds (distance) C4'-P energy: -91.443
bonds (distance) P-C4' energy: -103.932
flat angles C4'-P-C4' energy: -110.046
flat angles P-C4'-P energy: -78.480
tors. eta vs tors. theta energy: -142.810
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: 8
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -1722.316013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.316013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.316013 (E_RNA)
where:
Base-Base interactions energy: -1231.624
where: short stacking energy: -484.050
Base-Backbone interact. energy: -1.347
local terms energy: -489.344559
where:
bonds (distance) C4'-P energy: -76.055
bonds (distance) P-C4' energy: -94.374
flat angles C4'-P-C4' energy: -108.774
flat angles P-C4'-P energy: -74.470
tors. eta vs tors. theta energy: -135.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -1600.957398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.957398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.957398 (E_RNA)
where:
Base-Base interactions energy: -1082.911
where: short stacking energy: -457.487
Base-Backbone interact. energy: -2.235
local terms energy: -515.811650
where:
bonds (distance) C4'-P energy: -99.757
bonds (distance) P-C4' energy: -98.578
flat angles C4'-P-C4' energy: -106.917
flat angles P-C4'-P energy: -81.999
tors. eta vs tors. theta energy: -128.560
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: 9
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -1530.797339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.797339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.797339 (E_RNA)
where:
Base-Base interactions energy: -1071.619
where: short stacking energy: -436.826
Base-Backbone interact. energy: -0.915
local terms energy: -458.262899
where:
bonds (distance) C4'-P energy: -80.519
bonds (distance) P-C4' energy: -90.396
flat angles C4'-P-C4' energy: -94.770
flat angles P-C4'-P energy: -69.074
tors. eta vs tors. theta energy: -123.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -1411.390072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.390072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.390072 (E_RNA)
where:
Base-Base interactions energy: -958.424
where: short stacking energy: -416.425
Base-Backbone interact. energy: -1.444
local terms energy: -451.521904
where:
bonds (distance) C4'-P energy: -67.643
bonds (distance) P-C4' energy: -107.589
flat angles C4'-P-C4' energy: -101.641
flat angles P-C4'-P energy: -63.669
tors. eta vs tors. theta energy: -110.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -1324.591542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.591542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.591542 (E_RNA)
where:
Base-Base interactions energy: -919.783
where: short stacking energy: -387.983
Base-Backbone interact. energy: 0.908
local terms energy: -405.716148
where:
bonds (distance) C4'-P energy: -82.834
bonds (distance) P-C4' energy: -83.424
flat angles C4'-P-C4' energy: -86.597
flat angles P-C4'-P energy: -72.299
tors. eta vs tors. theta energy: -80.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -1136.575490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.575490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.575490 (E_RNA)
where:
Base-Base interactions energy: -767.096
where: short stacking energy: -329.917
Base-Backbone interact. energy: -0.201
local terms energy: -369.278474
where:
bonds (distance) C4'-P energy: -75.266
bonds (distance) P-C4' energy: -80.560
flat angles C4'-P-C4' energy: -90.930
flat angles P-C4'-P energy: -55.485
tors. eta vs tors. theta energy: -67.038
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: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -1084.880168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.880168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.880168 (E_RNA)
where:
Base-Base interactions energy: -704.008
where: short stacking energy: -292.893
Base-Backbone interact. energy: -1.762
local terms energy: -379.109452
where:
bonds (distance) C4'-P energy: -95.943
bonds (distance) P-C4' energy: -91.236
flat angles C4'-P-C4' energy: -83.197
flat angles P-C4'-P energy: -43.726
tors. eta vs tors. theta energy: -65.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -1967.515938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.515938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.515938 (E_RNA)
where:
Base-Base interactions energy: -1398.750
where: short stacking energy: -556.895
Base-Backbone interact. energy: 5.522
local terms energy: -574.287833
where:
bonds (distance) C4'-P energy: -109.059
bonds (distance) P-C4' energy: -109.400
flat angles C4'-P-C4' energy: -120.910
flat angles P-C4'-P energy: -79.308
tors. eta vs tors. theta energy: -155.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -1870.167551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.167551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.167551 (E_RNA)
where:
Base-Base interactions energy: -1322.817
where: short stacking energy: -541.149
Base-Backbone interact. energy: -1.423
local terms energy: -545.927570
where:
bonds (distance) C4'-P energy: -97.500
bonds (distance) P-C4' energy: -102.647
flat angles C4'-P-C4' energy: -113.952
flat angles P-C4'-P energy: -79.158
tors. eta vs tors. theta energy: -152.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -1805.250219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.250219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.250219 (E_RNA)
where:
Base-Base interactions energy: -1293.458
where: short stacking energy: -505.043
Base-Backbone interact. energy: 3.093
local terms energy: -514.885055
where:
bonds (distance) C4'-P energy: -98.227
bonds (distance) P-C4' energy: -97.890
flat angles C4'-P-C4' energy: -109.664
flat angles P-C4'-P energy: -78.300
tors. eta vs tors. theta energy: -130.805
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: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -1695.261170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.261170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.261170 (E_RNA)
where:
Base-Base interactions energy: -1204.108
where: short stacking energy: -479.988
Base-Backbone interact. energy: 1.386
local terms energy: -492.539263
where:
bonds (distance) C4'-P energy: -71.512
bonds (distance) P-C4' energy: -114.858
flat angles C4'-P-C4' energy: -105.262
flat angles P-C4'-P energy: -75.489
tors. eta vs tors. theta energy: -125.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -1589.160755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.160755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.160755 (E_RNA)
where:
Base-Base interactions energy: -1143.250
where: short stacking energy: -468.661
Base-Backbone interact. energy: 5.460
local terms energy: -451.370829
where:
bonds (distance) C4'-P energy: -97.934
bonds (distance) P-C4' energy: -100.074
flat angles C4'-P-C4' energy: -94.839
flat angles P-C4'-P energy: -57.046
tors. eta vs tors. theta energy: -101.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -1537.337595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.337595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.337595 (E_RNA)
where:
Base-Base interactions energy: -1078.273
where: short stacking energy: -420.776
Base-Backbone interact. energy: -0.662
local terms energy: -458.403245
where:
bonds (distance) C4'-P energy: -96.279
bonds (distance) P-C4' energy: -77.888
flat angles C4'-P-C4' energy: -107.019
flat angles P-C4'-P energy: -69.751
tors. eta vs tors. theta energy: -107.467
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: 105
Temperature: 1.200000
Total energy: -1430.151667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.151667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.151667 (E_RNA)
where:
Base-Base interactions energy: -998.830
where: short stacking energy: -415.760
Base-Backbone interact. energy: -1.100
local terms energy: -430.221596
where:
bonds (distance) C4'-P energy: -90.179
bonds (distance) P-C4' energy: -92.472
flat angles C4'-P-C4' energy: -101.171
flat angles P-C4'-P energy: -48.045
tors. eta vs tors. theta energy: -98.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -1307.507851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.507851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.507851 (E_RNA)
where:
Base-Base interactions energy: -886.400
where: short stacking energy: -361.181
Base-Backbone interact. energy: 5.309
local terms energy: -426.417110
where:
bonds (distance) C4'-P energy: -90.991
bonds (distance) P-C4' energy: -97.723
flat angles C4'-P-C4' energy: -82.532
flat angles P-C4'-P energy: -61.710
tors. eta vs tors. theta energy: -93.461
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: 105
Temperature: 1.300000
Total energy: -1120.684780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.684780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.684780 (E_RNA)
where:
Base-Base interactions energy: -737.456
where: short stacking energy: -321.558
Base-Backbone interact. energy: 7.566
local terms energy: -390.794133
where:
bonds (distance) C4'-P energy: -76.702
bonds (distance) P-C4' energy: -93.355
flat angles C4'-P-C4' energy: -83.972
flat angles P-C4'-P energy: -67.024
tors. eta vs tors. theta energy: -69.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -1013.896964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1013.896964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1013.896964 (E_RNA)
where:
Base-Base interactions energy: -657.937
where: short stacking energy: -285.785
Base-Backbone interact. energy: -1.567
local terms energy: -354.393076
where:
bonds (distance) C4'-P energy: -75.986
bonds (distance) P-C4' energy: -94.007
flat angles C4'-P-C4' energy: -72.222
flat angles P-C4'-P energy: -59.052
tors. eta vs tors. theta energy: -53.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -1964.982477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.982477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.982477 (E_RNA)
where:
Base-Base interactions energy: -1419.258
where: short stacking energy: -571.947
Base-Backbone interact. energy: -2.330
local terms energy: -543.394838
where:
bonds (distance) C4'-P energy: -93.525
bonds (distance) P-C4' energy: -102.190
flat angles C4'-P-C4' energy: -119.189
flat angles P-C4'-P energy: -71.911
tors. eta vs tors. theta energy: -156.579
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: 1
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -1867.287622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.287622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.287622 (E_RNA)
where:
Base-Base interactions energy: -1333.468
where: short stacking energy: -544.972
Base-Backbone interact. energy: -2.965
local terms energy: -530.855158
where:
bonds (distance) C4'-P energy: -95.803
bonds (distance) P-C4' energy: -92.892
flat angles C4'-P-C4' energy: -114.608
flat angles P-C4'-P energy: -77.928
tors. eta vs tors. theta energy: -149.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -1795.158852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.158852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.158852 (E_RNA)
where:
Base-Base interactions energy: -1243.400
where: short stacking energy: -506.331
Base-Backbone interact. energy: -0.486
local terms energy: -551.273090
where:
bonds (distance) C4'-P energy: -95.974
bonds (distance) P-C4' energy: -112.994
flat angles C4'-P-C4' energy: -115.266
flat angles P-C4'-P energy: -86.576
tors. eta vs tors. theta energy: -140.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -1689.356887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.356887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.356887 (E_RNA)
where:
Base-Base interactions energy: -1207.492
where: short stacking energy: -477.356
Base-Backbone interact. energy: -2.284
local terms energy: -479.581635
where:
bonds (distance) C4'-P energy: -93.547
bonds (distance) P-C4' energy: -84.211
flat angles C4'-P-C4' energy: -104.021
flat angles P-C4'-P energy: -68.920
tors. eta vs tors. theta energy: -128.883
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: 3
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -1611.063468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.063468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.063468 (E_RNA)
where:
Base-Base interactions energy: -1139.364
where: short stacking energy: -442.308
Base-Backbone interact. energy: -2.724
local terms energy: -468.974779
where:
bonds (distance) C4'-P energy: -83.524
bonds (distance) P-C4' energy: -77.291
flat angles C4'-P-C4' energy: -108.834
flat angles P-C4'-P energy: -86.241
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: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -1510.276287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.276287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.276287 (E_RNA)
where:
Base-Base interactions energy: -1084.335
where: short stacking energy: -455.340
Base-Backbone interact. energy: -0.086
local terms energy: -425.855442
where:
bonds (distance) C4'-P energy: -85.334
bonds (distance) P-C4' energy: -67.194
flat angles C4'-P-C4' energy: -98.454
flat angles P-C4'-P energy: -61.966
tors. eta vs tors. theta energy: -112.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -1446.487149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.487149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.487149 (E_RNA)
where:
Base-Base interactions energy: -1007.890
where: short stacking energy: -390.561
Base-Backbone interact. energy: -1.141
local terms energy: -437.456175
where:
bonds (distance) C4'-P energy: -88.701
bonds (distance) P-C4' energy: -89.316
flat angles C4'-P-C4' energy: -97.041
flat angles P-C4'-P energy: -61.103
tors. eta vs tors. theta energy: -101.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -1305.234103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.234103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.234103 (E_RNA)
where:
Base-Base interactions energy: -921.931
where: short stacking energy: -378.806
Base-Backbone interact. energy: -1.699
local terms energy: -381.604682
where:
bonds (distance) C4'-P energy: -75.223
bonds (distance) P-C4' energy: -81.106
flat angles C4'-P-C4' energy: -90.920
flat angles P-C4'-P energy: -45.528
tors. eta vs tors. theta energy: -88.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -1056.031134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.031134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.031134 (E_RNA)
where:
Base-Base interactions energy: -683.279
where: short stacking energy: -291.152
Base-Backbone interact. energy: 0.800
local terms energy: -373.552570
where:
bonds (distance) C4'-P energy: -85.607
bonds (distance) P-C4' energy: -102.214
flat angles C4'-P-C4' energy: -85.009
flat angles P-C4'-P energy: -44.233
tors. eta vs tors. theta energy: -56.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -1001.801519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.801519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.801519 (E_RNA)
where:
Base-Base interactions energy: -683.232
where: short stacking energy: -270.088
Base-Backbone interact. energy: 0.865
local terms energy: -319.434880
where:
bonds (distance) C4'-P energy: -67.196
bonds (distance) P-C4' energy: -87.178
flat angles C4'-P-C4' energy: -90.534
flat angles P-C4'-P energy: -33.462
tors. eta vs tors. theta energy: -41.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -1961.146653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.146653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.146653 (E_RNA)
where:
Base-Base interactions energy: -1424.247
where: short stacking energy: -587.826
Base-Backbone interact. energy: 1.548
local terms energy: -538.447650
where:
bonds (distance) C4'-P energy: -95.767
bonds (distance) P-C4' energy: -99.932
flat angles C4'-P-C4' energy: -114.376
flat angles P-C4'-P energy: -68.456
tors. eta vs tors. theta energy: -159.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -1887.421989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.421989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.421989 (E_RNA)
where:
Base-Base interactions energy: -1347.300
where: short stacking energy: -556.191
Base-Backbone interact. energy: -1.948
local terms energy: -538.173901
where:
bonds (distance) C4'-P energy: -102.808
bonds (distance) P-C4' energy: -94.556
flat angles C4'-P-C4' energy: -115.789
flat angles P-C4'-P energy: -77.250
tors. eta vs tors. theta energy: -147.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -1787.632039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.632039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.632039 (E_RNA)
where:
Base-Base interactions energy: -1265.036
where: short stacking energy: -525.932
Base-Backbone interact. energy: -2.120
local terms energy: -520.476038
where:
bonds (distance) C4'-P energy: -95.944
bonds (distance) P-C4' energy: -102.598
flat angles C4'-P-C4' energy: -112.796
flat angles P-C4'-P energy: -65.453
tors. eta vs tors. theta energy: -143.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -1710.381677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.381677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.381677 (E_RNA)
where:
Base-Base interactions energy: -1204.864
where: short stacking energy: -488.496
Base-Backbone interact. energy: 2.691
local terms energy: -508.208899
where:
bonds (distance) C4'-P energy: -99.284
bonds (distance) P-C4' energy: -94.270
flat angles C4'-P-C4' energy: -113.046
flat angles P-C4'-P energy: -72.150
tors. eta vs tors. theta energy: -129.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -1604.681569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.681569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.681569 (E_RNA)
where:
Base-Base interactions energy: -1128.528
where: short stacking energy: -452.891
Base-Backbone interact. energy: -3.485
local terms energy: -472.668661
where:
bonds (distance) C4'-P energy: -86.487
bonds (distance) P-C4' energy: -79.990
flat angles C4'-P-C4' energy: -105.271
flat angles P-C4'-P energy: -78.961
tors. eta vs tors. theta energy: -121.960
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: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -1523.439524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.439524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.439524 (E_RNA)
where:
Base-Base interactions energy: -1058.531
where: short stacking energy: -442.007
Base-Backbone interact. energy: -1.683
local terms energy: -463.225781
where:
bonds (distance) C4'-P energy: -88.025
bonds (distance) P-C4' energy: -84.998
flat angles C4'-P-C4' energy: -101.207
flat angles P-C4'-P energy: -66.034
tors. eta vs tors. theta energy: -122.962
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: 7, replica: 7
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -1405.713833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.713833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.713833 (E_RNA)
where:
Base-Base interactions energy: -972.300
where: short stacking energy: -395.576
Base-Backbone interact. energy: 0.132
local terms energy: -433.545647
where:
bonds (distance) C4'-P energy: -80.824
bonds (distance) P-C4' energy: -87.258
flat angles C4'-P-C4' energy: -94.265
flat angles P-C4'-P energy: -55.940
tors. eta vs tors. theta energy: -115.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -1338.789148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.789148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.789148 (E_RNA)
where:
Base-Base interactions energy: -917.891
where: short stacking energy: -382.276
Base-Backbone interact. energy: -0.676
local terms energy: -420.222455
where:
bonds (distance) C4'-P energy: -95.569
bonds (distance) P-C4' energy: -74.890
flat angles C4'-P-C4' energy: -91.212
flat angles P-C4'-P energy: -67.956
tors. eta vs tors. theta energy: -90.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -1091.264460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.264460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.264460 (E_RNA)
where:
Base-Base interactions energy: -710.087
where: short stacking energy: -334.901
Base-Backbone interact. energy: 5.766
local terms energy: -386.943699
where:
bonds (distance) C4'-P energy: -82.071
bonds (distance) P-C4' energy: -81.687
flat angles C4'-P-C4' energy: -88.945
flat angles P-C4'-P energy: -57.892
tors. eta vs tors. theta energy: -76.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -1016.867769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1016.867769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1016.867769 (E_RNA)
where:
Base-Base interactions energy: -688.204
where: short stacking energy: -303.138
Base-Backbone interact. energy: 2.254
local terms energy: -330.918263
where:
bonds (distance) C4'-P energy: -74.233
bonds (distance) P-C4' energy: -87.857
flat angles C4'-P-C4' energy: -73.709
flat angles P-C4'-P energy: -51.528
tors. eta vs tors. theta energy: -43.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -1981.394224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.394224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.394224 (E_RNA)
where:
Base-Base interactions energy: -1418.281
where: short stacking energy: -579.818
Base-Backbone interact. energy: -0.285
local terms energy: -562.828743
where:
bonds (distance) C4'-P energy: -90.658
bonds (distance) P-C4' energy: -105.364
flat angles C4'-P-C4' energy: -122.696
flat angles P-C4'-P energy: -86.052
tors. eta vs tors. theta energy: -158.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -1888.401423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.401423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.401423 (E_RNA)
where:
Base-Base interactions energy: -1351.759
where: short stacking energy: -544.481
Base-Backbone interact. energy: 5.570
local terms energy: -542.211762
where:
bonds (distance) C4'-P energy: -102.501
bonds (distance) P-C4' energy: -100.504
flat angles C4'-P-C4' energy: -117.700
flat angles P-C4'-P energy: -70.091
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: 2
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -1785.251746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.251746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.251746 (E_RNA)
where:
Base-Base interactions energy: -1274.929
where: short stacking energy: -464.488
Base-Backbone interact. energy: -3.220
local terms energy: -507.102475
where:
bonds (distance) C4'-P energy: -98.737
bonds (distance) P-C4' energy: -104.686
flat angles C4'-P-C4' energy: -108.044
flat angles P-C4'-P energy: -66.344
tors. eta vs tors. theta energy: -129.290
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: 8
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -1711.000354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.000354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.000354 (E_RNA)
where:
Base-Base interactions energy: -1217.379
where: short stacking energy: -502.163
Base-Backbone interact. energy: 0.484
local terms energy: -494.105814
where:
bonds (distance) C4'-P energy: -93.526
bonds (distance) P-C4' energy: -90.167
flat angles C4'-P-C4' energy: -116.612
flat angles P-C4'-P energy: -58.126
tors. eta vs tors. theta energy: -135.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -1601.119918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1601.119918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1601.119918 (E_RNA)
where:
Base-Base interactions energy: -1134.623
where: short stacking energy: -454.669
Base-Backbone interact. energy: -4.939
local terms energy: -461.557527
where:
bonds (distance) C4'-P energy: -80.704
bonds (distance) P-C4' energy: -98.283
flat angles C4'-P-C4' energy: -96.573
flat angles P-C4'-P energy: -70.738
tors. eta vs tors. theta energy: -115.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -1504.051657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.051657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.051657 (E_RNA)
where:
Base-Base interactions energy: -1055.066
where: short stacking energy: -449.235
Base-Backbone interact. energy: 1.024
local terms energy: -450.009007
where:
bonds (distance) C4'-P energy: -96.976
bonds (distance) P-C4' energy: -77.397
flat angles C4'-P-C4' energy: -103.109
flat angles P-C4'-P energy: -54.991
tors. eta vs tors. theta energy: -117.537
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: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -1444.489747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.489747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.489747 (E_RNA)
where:
Base-Base interactions energy: -1021.689
where: short stacking energy: -420.874
Base-Backbone interact. energy: -2.509
local terms energy: -420.291829
where:
bonds (distance) C4'-P energy: -75.492
bonds (distance) P-C4' energy: -81.439
flat angles C4'-P-C4' energy: -98.421
flat angles P-C4'-P energy: -60.523
tors. eta vs tors. theta energy: -104.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -1362.084179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.084179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.084179 (E_RNA)
where:
Base-Base interactions energy: -958.065
where: short stacking energy: -414.526
Base-Backbone interact. energy: 2.467
local terms energy: -406.486157
where:
bonds (distance) C4'-P energy: -84.968
bonds (distance) P-C4' energy: -89.976
flat angles C4'-P-C4' energy: -88.215
flat angles P-C4'-P energy: -50.309
tors. eta vs tors. theta energy: -93.019
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: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -1105.997440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.997440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.997440 (E_RNA)
where:
Base-Base interactions energy: -715.392
where: short stacking energy: -309.149
Base-Backbone interact. energy: -0.061
local terms energy: -390.545066
where:
bonds (distance) C4'-P energy: -79.546
bonds (distance) P-C4' energy: -96.708
flat angles C4'-P-C4' energy: -101.548
flat angles P-C4'-P energy: -54.609
tors. eta vs tors. theta energy: -58.133
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: 10
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -1042.112485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.112485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.112485 (E_RNA)
where:
Base-Base interactions energy: -699.867
where: short stacking energy: -293.640
Base-Backbone interact. energy: -2.998
local terms energy: -339.247598
where:
bonds (distance) C4'-P energy: -70.527
bonds (distance) P-C4' energy: -78.201
flat angles C4'-P-C4' energy: -88.939
flat angles P-C4'-P energy: -46.384
tors. eta vs tors. theta energy: -55.197
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: 4
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -1966.831706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.831706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.831706 (E_RNA)
where:
Base-Base interactions energy: -1381.264
where: short stacking energy: -566.661
Base-Backbone interact. energy: -2.128
local terms energy: -583.439570
where:
bonds (distance) C4'-P energy: -105.685
bonds (distance) P-C4' energy: -110.131
flat angles C4'-P-C4' energy: -124.093
flat angles P-C4'-P energy: -79.547
tors. eta vs tors. theta energy: -163.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -1883.748839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.748839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.748839 (E_RNA)
where:
Base-Base interactions energy: -1313.075
where: short stacking energy: -537.549
Base-Backbone interact. energy: -2.063
local terms energy: -568.610303
where:
bonds (distance) C4'-P energy: -106.502
bonds (distance) P-C4' energy: -110.104
flat angles C4'-P-C4' energy: -118.649
flat angles P-C4'-P energy: -78.687
tors. eta vs tors. theta energy: -154.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -1770.041114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.041114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.041114 (E_RNA)
where:
Base-Base interactions energy: -1268.858
where: short stacking energy: -498.669
Base-Backbone interact. energy: -2.764
local terms energy: -498.419014
where:
bonds (distance) C4'-P energy: -95.862
bonds (distance) P-C4' energy: -100.472
flat angles C4'-P-C4' energy: -108.671
flat angles P-C4'-P energy: -63.682
tors. eta vs tors. theta energy: -129.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -1686.777508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.777508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.777508 (E_RNA)
where:
Base-Base interactions energy: -1197.626
where: short stacking energy: -479.179
Base-Backbone interact. energy: -3.646
local terms energy: -485.505130
where:
bonds (distance) C4'-P energy: -86.139
bonds (distance) P-C4' energy: -96.094
flat angles C4'-P-C4' energy: -107.744
flat angles P-C4'-P energy: -68.498
tors. eta vs tors. theta energy: -127.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -1573.651930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.651930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.651930 (E_RNA)
where:
Base-Base interactions energy: -1096.251
where: short stacking energy: -462.553
Base-Backbone interact. energy: -2.544
local terms energy: -474.857033
where:
bonds (distance) C4'-P energy: -86.715
bonds (distance) P-C4' energy: -95.366
flat angles C4'-P-C4' energy: -103.273
flat angles P-C4'-P energy: -61.228
tors. eta vs tors. theta energy: -128.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -1503.722195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.722195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.722195 (E_RNA)
where:
Base-Base interactions energy: -1027.819
where: short stacking energy: -428.886
Base-Backbone interact. energy: -0.197
local terms energy: -475.705873
where:
bonds (distance) C4'-P energy: -92.930
bonds (distance) P-C4' energy: -96.989
flat angles C4'-P-C4' energy: -96.641
flat angles P-C4'-P energy: -78.606
tors. eta vs tors. theta energy: -110.539
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: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -1451.043620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.043620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.043620 (E_RNA)
where:
Base-Base interactions energy: -1013.571
where: short stacking energy: -421.973
Base-Backbone interact. energy: 0.788
local terms energy: -438.260450
where:
bonds (distance) C4'-P energy: -68.418
bonds (distance) P-C4' energy: -85.567
flat angles C4'-P-C4' energy: -103.209
flat angles P-C4'-P energy: -69.504
tors. eta vs tors. theta energy: -111.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -1377.006343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.006343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.006343 (E_RNA)
where:
Base-Base interactions energy: -952.591
where: short stacking energy: -369.306
Base-Backbone interact. energy: -1.798
local terms energy: -422.617422
where:
bonds (distance) C4'-P energy: -85.027
bonds (distance) P-C4' energy: -87.520
flat angles C4'-P-C4' energy: -99.392
flat angles P-C4'-P energy: -55.238
tors. eta vs tors. theta energy: -95.440
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: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -1131.511681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.511681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.511681 (E_RNA)
where:
Base-Base interactions energy: -752.917
where: short stacking energy: -316.746
Base-Backbone interact. energy: -1.705
local terms energy: -376.889070
where:
bonds (distance) C4'-P energy: -92.990
bonds (distance) P-C4' energy: -72.498
flat angles C4'-P-C4' energy: -89.299
flat angles P-C4'-P energy: -62.876
tors. eta vs tors. theta energy: -59.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -945.537498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -945.537498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -945.537498 (E_RNA)
where:
Base-Base interactions energy: -615.997
where: short stacking energy: -259.257
Base-Backbone interact. energy: 4.093
local terms energy: -333.633107
where:
bonds (distance) C4'-P energy: -74.581
bonds (distance) P-C4' energy: -80.449
flat angles C4'-P-C4' energy: -83.977
flat angles P-C4'-P energy: -62.252
tors. eta vs tors. theta energy: -32.374
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: 1
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -1898.788854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.788854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.788854 (E_RNA)
where:
Base-Base interactions energy: -1329.507
where: short stacking energy: -549.393
Base-Backbone interact. energy: -0.530
local terms energy: -568.751224
where:
bonds (distance) C4'-P energy: -103.847
bonds (distance) P-C4' energy: -117.499
flat angles C4'-P-C4' energy: -113.073
flat angles P-C4'-P energy: -74.755
tors. eta vs tors. theta energy: -159.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -1916.145604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.145604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.145604 (E_RNA)
where:
Base-Base interactions energy: -1366.847
where: short stacking energy: -539.505
Base-Backbone interact. energy: -1.981
local terms energy: -547.317336
where:
bonds (distance) C4'-P energy: -90.595
bonds (distance) P-C4' energy: -104.987
flat angles C4'-P-C4' energy: -120.648
flat angles P-C4'-P energy: -78.475
tors. eta vs tors. theta energy: -152.613
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: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -1756.286997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.286997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.286997 (E_RNA)
where:
Base-Base interactions energy: -1231.653
where: short stacking energy: -504.667
Base-Backbone interact. energy: -1.939
local terms energy: -522.695654
where:
bonds (distance) C4'-P energy: -92.128
bonds (distance) P-C4' energy: -98.253
flat angles C4'-P-C4' energy: -109.068
flat angles P-C4'-P energy: -74.129
tors. eta vs tors. theta energy: -149.117
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: 8
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -1698.575128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.575128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.575128 (E_RNA)
where:
Base-Base interactions energy: -1198.345
where: short stacking energy: -475.218
Base-Backbone interact. energy: -3.735
local terms energy: -496.495353
where:
bonds (distance) C4'-P energy: -76.051
bonds (distance) P-C4' energy: -99.564
flat angles C4'-P-C4' energy: -112.828
flat angles P-C4'-P energy: -79.224
tors. eta vs tors. theta energy: -128.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -1608.677507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.677507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.677507 (E_RNA)
where:
Base-Base interactions energy: -1130.352
where: short stacking energy: -468.839
Base-Backbone interact. energy: -2.145
local terms energy: -476.180996
where:
bonds (distance) C4'-P energy: -90.675
bonds (distance) P-C4' energy: -84.541
flat angles C4'-P-C4' energy: -113.319
flat angles P-C4'-P energy: -61.420
tors. eta vs tors. theta energy: -126.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -1511.950331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.950331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.950331 (E_RNA)
where:
Base-Base interactions energy: -1017.001
where: short stacking energy: -430.537
Base-Backbone interact. energy: -0.682
local terms energy: -494.267287
where:
bonds (distance) C4'-P energy: -103.085
bonds (distance) P-C4' energy: -102.281
flat angles C4'-P-C4' energy: -103.192
flat angles P-C4'-P energy: -56.298
tors. eta vs tors. theta energy: -129.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -1435.337278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.337278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.337278 (E_RNA)
where:
Base-Base interactions energy: -1014.105
where: short stacking energy: -415.960
Base-Backbone interact. energy: -1.428
local terms energy: -419.804455
where:
bonds (distance) C4'-P energy: -80.371
bonds (distance) P-C4' energy: -83.294
flat angles C4'-P-C4' energy: -98.733
flat angles P-C4'-P energy: -59.541
tors. eta vs tors. theta energy: -97.865
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: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -1395.964065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.964065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.964065 (E_RNA)
where:
Base-Base interactions energy: -999.471
where: short stacking energy: -378.967
Base-Backbone interact. energy: 2.842
local terms energy: -399.334969
where:
bonds (distance) C4'-P energy: -71.749
bonds (distance) P-C4' energy: -88.699
flat angles C4'-P-C4' energy: -99.713
flat angles P-C4'-P energy: -52.437
tors. eta vs tors. theta energy: -86.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -1119.502371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.502371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.502371 (E_RNA)
where:
Base-Base interactions energy: -752.894
where: short stacking energy: -338.382
Base-Backbone interact. energy: 0.891
local terms energy: -367.499318
where:
bonds (distance) C4'-P energy: -64.184
bonds (distance) P-C4' energy: -85.570
flat angles C4'-P-C4' energy: -97.746
flat angles P-C4'-P energy: -56.380
tors. eta vs tors. theta energy: -63.619
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: 10, replica: 10
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -983.402370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -983.402370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -983.402370 (E_RNA)
where:
Base-Base interactions energy: -663.830
where: short stacking energy: -297.445
Base-Backbone interact. energy: 0.335
local terms energy: -319.907539
where:
bonds (distance) C4'-P energy: -73.602
bonds (distance) P-C4' energy: -85.062
flat angles C4'-P-C4' energy: -88.384
flat angles P-C4'-P energy: -28.507
tors. eta vs tors. theta energy: -44.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -1928.376104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.376104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.376104 (E_RNA)
where:
Base-Base interactions energy: -1364.752
where: short stacking energy: -555.930
Base-Backbone interact. energy: -2.798
local terms energy: -560.825737
where:
bonds (distance) C4'-P energy: -95.628
bonds (distance) P-C4' energy: -108.134
flat angles C4'-P-C4' energy: -116.911
flat angles P-C4'-P energy: -74.465
tors. eta vs tors. theta energy: -165.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -1897.746764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.746764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.746764 (E_RNA)
where:
Base-Base interactions energy: -1343.374
where: short stacking energy: -548.750
Base-Backbone interact. energy: -1.185
local terms energy: -553.187944
where:
bonds (distance) C4'-P energy: -87.820
bonds (distance) P-C4' energy: -111.640
flat angles C4'-P-C4' energy: -121.437
flat angles P-C4'-P energy: -79.094
tors. eta vs tors. theta energy: -153.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -1778.473483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.473483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.473483 (E_RNA)
where:
Base-Base interactions energy: -1262.313
where: short stacking energy: -502.447
Base-Backbone interact. energy: -2.741
local terms energy: -513.419609
where:
bonds (distance) C4'-P energy: -96.017
bonds (distance) P-C4' energy: -103.827
flat angles C4'-P-C4' energy: -108.848
flat angles P-C4'-P energy: -74.382
tors. eta vs tors. theta energy: -130.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -1697.051995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.051995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.051995 (E_RNA)
where:
Base-Base interactions energy: -1221.722
where: short stacking energy: -477.767
Base-Backbone interact. energy: 1.437
local terms energy: -476.766730
where:
bonds (distance) C4'-P energy: -82.227
bonds (distance) P-C4' energy: -98.867
flat angles C4'-P-C4' energy: -108.680
flat angles P-C4'-P energy: -70.274
tors. eta vs tors. theta energy: -116.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -1585.744681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.744681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.744681 (E_RNA)
where:
Base-Base interactions energy: -1118.799
where: short stacking energy: -465.670
Base-Backbone interact. energy: -1.033
local terms energy: -465.912431
where:
bonds (distance) C4'-P energy: -80.392
bonds (distance) P-C4' energy: -93.320
flat angles C4'-P-C4' energy: -106.293
flat angles P-C4'-P energy: -64.403
tors. eta vs tors. theta energy: -121.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -1499.075234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.075234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.075234 (E_RNA)
where:
Base-Base interactions energy: -1053.153
where: short stacking energy: -436.907
Base-Backbone interact. energy: 4.562
local terms energy: -450.484859
where:
bonds (distance) C4'-P energy: -74.689
bonds (distance) P-C4' energy: -85.303
flat angles C4'-P-C4' energy: -107.042
flat angles P-C4'-P energy: -79.427
tors. eta vs tors. theta energy: -104.024
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: 111
Temperature: 1.200000
Total energy: -1444.274366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.274366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.274366 (E_RNA)
where:
Base-Base interactions energy: -1017.932
where: short stacking energy: -428.988
Base-Backbone interact. energy: 4.526
local terms energy: -430.868433
where:
bonds (distance) C4'-P energy: -76.948
bonds (distance) P-C4' energy: -90.056
flat angles C4'-P-C4' energy: -100.757
flat angles P-C4'-P energy: -58.708
tors. eta vs tors. theta energy: -104.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -1409.238316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.238316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.238316 (E_RNA)
where:
Base-Base interactions energy: -968.889
where: short stacking energy: -380.904
Base-Backbone interact. energy: -4.967
local terms energy: -435.382105
where:
bonds (distance) C4'-P energy: -84.232
bonds (distance) P-C4' energy: -98.528
flat angles C4'-P-C4' energy: -103.617
flat angles P-C4'-P energy: -57.789
tors. eta vs tors. theta energy: -91.215
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: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -1152.299270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.299270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.299270 (E_RNA)
where:
Base-Base interactions energy: -816.437
where: short stacking energy: -352.543
Base-Backbone interact. energy: -0.387
local terms energy: -335.475733
where:
bonds (distance) C4'-P energy: -68.313
bonds (distance) P-C4' energy: -79.510
flat angles C4'-P-C4' energy: -83.095
flat angles P-C4'-P energy: -31.737
tors. eta vs tors. theta energy: -72.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -1010.542046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1010.542046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1010.542046 (E_RNA)
where:
Base-Base interactions energy: -645.166
where: short stacking energy: -283.667
Base-Backbone interact. energy: -0.907
local terms energy: -364.469339
where:
bonds (distance) C4'-P energy: -74.635
bonds (distance) P-C4' energy: -83.430
flat angles C4'-P-C4' energy: -101.206
flat angles P-C4'-P energy: -52.215
tors. eta vs tors. theta energy: -52.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -1922.346282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.346282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.346282 (E_RNA)
where:
Base-Base interactions energy: -1379.526
where: short stacking energy: -564.380
Base-Backbone interact. energy: 0.582
local terms energy: -543.402197
where:
bonds (distance) C4'-P energy: -95.169
bonds (distance) P-C4' energy: -99.134
flat angles C4'-P-C4' energy: -116.471
flat angles P-C4'-P energy: -80.447
tors. eta vs tors. theta energy: -152.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -1892.653638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.653638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.653638 (E_RNA)
where:
Base-Base interactions energy: -1347.608
where: short stacking energy: -553.062
Base-Backbone interact. energy: -3.665
local terms energy: -541.380896
where:
bonds (distance) C4'-P energy: -90.935
bonds (distance) P-C4' energy: -90.267
flat angles C4'-P-C4' energy: -118.550
flat angles P-C4'-P energy: -83.118
tors. eta vs tors. theta energy: -158.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -1828.244543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.244543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.244543 (E_RNA)
where:
Base-Base interactions energy: -1293.451
where: short stacking energy: -533.312
Base-Backbone interact. energy: -2.683
local terms energy: -532.110576
where:
bonds (distance) C4'-P energy: -86.753
bonds (distance) P-C4' energy: -101.715
flat angles C4'-P-C4' energy: -125.764
flat angles P-C4'-P energy: -78.189
tors. eta vs tors. theta energy: -139.690
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: 8
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -1706.100298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.100298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.100298 (E_RNA)
where:
Base-Base interactions energy: -1209.346
where: short stacking energy: -480.542
Base-Backbone interact. energy: 9.723
local terms energy: -506.477302
where:
bonds (distance) C4'-P energy: -99.988
bonds (distance) P-C4' energy: -100.851
flat angles C4'-P-C4' energy: -110.565
flat angles P-C4'-P energy: -70.797
tors. eta vs tors. theta energy: -124.277
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: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -1681.743287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.743287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.743287 (E_RNA)
where:
Base-Base interactions energy: -1183.913
where: short stacking energy: -495.227
Base-Backbone interact. energy: -2.284
local terms energy: -495.546439
where:
bonds (distance) C4'-P energy: -94.601
bonds (distance) P-C4' energy: -95.232
flat angles C4'-P-C4' energy: -103.553
flat angles P-C4'-P energy: -56.251
tors. eta vs tors. theta energy: -145.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -1502.282509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.282509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.282509 (E_RNA)
where:
Base-Base interactions energy: -1025.336
where: short stacking energy: -435.170
Base-Backbone interact. energy: -1.211
local terms energy: -475.735383
where:
bonds (distance) C4'-P energy: -100.333
bonds (distance) P-C4' energy: -85.511
flat angles C4'-P-C4' energy: -99.777
flat angles P-C4'-P energy: -64.246
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: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -1450.290960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.290960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.290960 (E_RNA)
where:
Base-Base interactions energy: -1002.731
where: short stacking energy: -420.298
Base-Backbone interact. energy: 0.266
local terms energy: -447.825966
where:
bonds (distance) C4'-P energy: -89.781
bonds (distance) P-C4' energy: -93.667
flat angles C4'-P-C4' energy: -100.506
flat angles P-C4'-P energy: -62.349
tors. eta vs tors. theta energy: -101.523
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: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -1340.210959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.210959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.210959 (E_RNA)
where:
Base-Base interactions energy: -910.210
where: short stacking energy: -374.669
Base-Backbone interact. energy: 0.945
local terms energy: -430.946035
where:
bonds (distance) C4'-P energy: -94.396
bonds (distance) P-C4' energy: -84.084
flat angles C4'-P-C4' energy: -96.639
flat angles P-C4'-P energy: -69.771
tors. eta vs tors. theta energy: -86.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -1101.953920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1101.953920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1101.953920 (E_RNA)
where:
Base-Base interactions energy: -746.453
where: short stacking energy: -300.406
Base-Backbone interact. energy: -3.748
local terms energy: -351.752494
where:
bonds (distance) C4'-P energy: -78.292
bonds (distance) P-C4' energy: -75.112
flat angles C4'-P-C4' energy: -72.921
flat angles P-C4'-P energy: -60.895
tors. eta vs tors. theta energy: -64.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -1088.020062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.020062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.020062 (E_RNA)
where:
Base-Base interactions energy: -740.739
where: short stacking energy: -330.993
Base-Backbone interact. energy: 0.050
local terms energy: -347.330629
where:
bonds (distance) C4'-P energy: -64.071
bonds (distance) P-C4' energy: -88.589
flat angles C4'-P-C4' energy: -86.602
flat angles P-C4'-P energy: -46.340
tors. eta vs tors. theta energy: -61.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -1912.345626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.345626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.345626 (E_RNA)
where:
Base-Base interactions energy: -1369.577
where: short stacking energy: -559.295
Base-Backbone interact. energy: 1.271
local terms energy: -544.039150
where:
bonds (distance) C4'-P energy: -103.562
bonds (distance) P-C4' energy: -91.834
flat angles C4'-P-C4' energy: -114.071
flat angles P-C4'-P energy: -78.445
tors. eta vs tors. theta energy: -156.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -1865.002892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.002892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.002892 (E_RNA)
where:
Base-Base interactions energy: -1303.718
where: short stacking energy: -533.384
Base-Backbone interact. energy: -3.226
local terms energy: -558.059656
where:
bonds (distance) C4'-P energy: -96.631
bonds (distance) P-C4' energy: -106.287
flat angles C4'-P-C4' energy: -119.481
flat angles P-C4'-P energy: -87.588
tors. eta vs tors. theta energy: -148.073
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: 2
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -1758.098981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.098981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.098981 (E_RNA)
where:
Base-Base interactions energy: -1243.037
where: short stacking energy: -517.551
Base-Backbone interact. energy: -1.912
local terms energy: -513.150357
where:
bonds (distance) C4'-P energy: -102.117
bonds (distance) P-C4' energy: -94.371
flat angles C4'-P-C4' energy: -109.425
flat angles P-C4'-P energy: -69.684
tors. eta vs tors. theta energy: -137.553
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: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -1724.348508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.348508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.348508 (E_RNA)
where:
Base-Base interactions energy: -1217.193
where: short stacking energy: -515.684
Base-Backbone interact. energy: -0.486
local terms energy: -506.669728
where:
bonds (distance) C4'-P energy: -95.594
bonds (distance) P-C4' energy: -96.024
flat angles C4'-P-C4' energy: -119.699
flat angles P-C4'-P energy: -60.436
tors. eta vs tors. theta energy: -134.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -1632.759982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.759982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.759982 (E_RNA)
where:
Base-Base interactions energy: -1149.283
where: short stacking energy: -469.273
Base-Backbone interact. energy: -0.283
local terms energy: -483.194476
where:
bonds (distance) C4'-P energy: -98.164
bonds (distance) P-C4' energy: -92.677
flat angles C4'-P-C4' energy: -106.490
flat angles P-C4'-P energy: -64.716
tors. eta vs tors. theta energy: -121.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -1500.061522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.061522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.061522 (E_RNA)
where:
Base-Base interactions energy: -1043.980
where: short stacking energy: -429.512
Base-Backbone interact. energy: -1.018
local terms energy: -455.063030
where:
bonds (distance) C4'-P energy: -88.936
bonds (distance) P-C4' energy: -90.996
flat angles C4'-P-C4' energy: -103.351
flat angles P-C4'-P energy: -57.967
tors. eta vs tors. theta energy: -113.813
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: 7
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -1460.129256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.129256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.129256 (E_RNA)
where:
Base-Base interactions energy: -992.566
where: short stacking energy: -434.299
Base-Backbone interact. energy: 1.209
local terms energy: -468.772051
where:
bonds (distance) C4'-P energy: -101.931
bonds (distance) P-C4' energy: -80.636
flat angles C4'-P-C4' energy: -108.426
flat angles P-C4'-P energy: -65.161
tors. eta vs tors. theta energy: -112.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -1330.750813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.750813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.750813 (E_RNA)
where:
Base-Base interactions energy: -911.461
where: short stacking energy: -393.388
Base-Backbone interact. energy: -0.168
local terms energy: -419.121353
where:
bonds (distance) C4'-P energy: -77.039
bonds (distance) P-C4' energy: -92.711
flat angles C4'-P-C4' energy: -96.660
flat angles P-C4'-P energy: -60.964
tors. eta vs tors. theta energy: -91.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -1089.197105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.197105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.197105 (E_RNA)
where:
Base-Base interactions energy: -713.738
where: short stacking energy: -307.659
Base-Backbone interact. energy: -2.926
local terms energy: -372.532561
where:
bonds (distance) C4'-P energy: -75.615
bonds (distance) P-C4' energy: -83.988
flat angles C4'-P-C4' energy: -86.737
flat angles P-C4'-P energy: -62.309
tors. eta vs tors. theta energy: -63.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -1057.956740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.956740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.956740 (E_RNA)
where:
Base-Base interactions energy: -731.059
where: short stacking energy: -311.133
Base-Backbone interact. energy: 3.590
local terms energy: -330.488054
where:
bonds (distance) C4'-P energy: -88.776
bonds (distance) P-C4' energy: -86.399
flat angles C4'-P-C4' energy: -62.359
flat angles P-C4'-P energy: -48.196
tors. eta vs tors. theta energy: -44.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -1924.327589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.327589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.327589 (E_RNA)
where:
Base-Base interactions energy: -1391.488
where: short stacking energy: -561.537
Base-Backbone interact. energy: 3.970
local terms energy: -536.809774
where:
bonds (distance) C4'-P energy: -92.463
bonds (distance) P-C4' energy: -107.660
flat angles C4'-P-C4' energy: -118.576
flat angles P-C4'-P energy: -68.987
tors. eta vs tors. theta energy: -149.123
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: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -1882.171381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.171381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.171381 (E_RNA)
where:
Base-Base interactions energy: -1332.106
where: short stacking energy: -544.868
Base-Backbone interact. energy: -3.384
local terms energy: -546.681043
where:
bonds (distance) C4'-P energy: -88.169
bonds (distance) P-C4' energy: -103.404
flat angles C4'-P-C4' energy: -116.904
flat angles P-C4'-P energy: -85.254
tors. eta vs tors. theta energy: -152.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -1824.770935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.770935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.770935 (E_RNA)
where:
Base-Base interactions energy: -1317.290
where: short stacking energy: -527.267
Base-Backbone interact. energy: -1.655
local terms energy: -505.826113
where:
bonds (distance) C4'-P energy: -96.796
bonds (distance) P-C4' energy: -95.127
flat angles C4'-P-C4' energy: -103.660
flat angles P-C4'-P energy: -70.408
tors. eta vs tors. theta energy: -139.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -1733.945490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.945490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.945490 (E_RNA)
where:
Base-Base interactions energy: -1222.972
where: short stacking energy: -487.727
Base-Backbone interact. energy: -3.450
local terms energy: -507.523848
where:
bonds (distance) C4'-P energy: -92.299
bonds (distance) P-C4' energy: -89.995
flat angles C4'-P-C4' energy: -117.162
flat angles P-C4'-P energy: -77.694
tors. eta vs tors. theta energy: -130.374
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: 8
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -1645.788726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.788726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.788726 (E_RNA)
where:
Base-Base interactions energy: -1176.380
where: short stacking energy: -472.421
Base-Backbone interact. energy: -2.387
local terms energy: -467.021427
where:
bonds (distance) C4'-P energy: -92.752
bonds (distance) P-C4' energy: -78.803
flat angles C4'-P-C4' energy: -99.549
flat angles P-C4'-P energy: -77.275
tors. eta vs tors. theta energy: -118.643
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: 9
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -1510.822845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1510.822845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1510.822845 (E_RNA)
where:
Base-Base interactions energy: -1029.676
where: short stacking energy: -441.594
Base-Backbone interact. energy: -0.053
local terms energy: -481.094079
where:
bonds (distance) C4'-P energy: -102.943
bonds (distance) P-C4' energy: -90.069
flat angles C4'-P-C4' energy: -99.480
flat angles P-C4'-P energy: -70.924
tors. eta vs tors. theta energy: -117.678
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: 7
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -1422.738984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.738984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.738984 (E_RNA)
where:
Base-Base interactions energy: -983.736
where: short stacking energy: -398.787
Base-Backbone interact. energy: -2.412
local terms energy: -436.591423
where:
bonds (distance) C4'-P energy: -95.032
bonds (distance) P-C4' energy: -95.100
flat angles C4'-P-C4' energy: -90.106
flat angles P-C4'-P energy: -56.470
tors. eta vs tors. theta energy: -99.883
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: 5
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -1289.896075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.896075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.896075 (E_RNA)
where:
Base-Base interactions energy: -887.158
where: short stacking energy: -358.984
Base-Backbone interact. energy: 0.091
local terms energy: -402.828506
where:
bonds (distance) C4'-P energy: -100.835
bonds (distance) P-C4' energy: -82.025
flat angles C4'-P-C4' energy: -88.235
flat angles P-C4'-P energy: -62.697
tors. eta vs tors. theta energy: -69.037
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: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -1112.821837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.821837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.821837 (E_RNA)
where:
Base-Base interactions energy: -771.814
where: short stacking energy: -334.233
Base-Backbone interact. energy: 1.446
local terms energy: -342.453358
where:
bonds (distance) C4'-P energy: -67.246
bonds (distance) P-C4' energy: -76.167
flat angles C4'-P-C4' energy: -88.114
flat angles P-C4'-P energy: -37.571
tors. eta vs tors. theta energy: -73.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -1029.168791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.168791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.168791 (E_RNA)
where:
Base-Base interactions energy: -672.725
where: short stacking energy: -268.695
Base-Backbone interact. energy: -0.375
local terms energy: -356.068750
where:
bonds (distance) C4'-P energy: -75.322
bonds (distance) P-C4' energy: -88.790
flat angles C4'-P-C4' energy: -82.836
flat angles P-C4'-P energy: -51.036
tors. eta vs tors. theta energy: -58.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -1915.934643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.934643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.934643 (E_RNA)
where:
Base-Base interactions energy: -1374.590
where: short stacking energy: -536.215
Base-Backbone interact. energy: -1.209
local terms energy: -540.135821
where:
bonds (distance) C4'-P energy: -95.865
bonds (distance) P-C4' energy: -104.080
flat angles C4'-P-C4' energy: -115.073
flat angles P-C4'-P energy: -73.600
tors. eta vs tors. theta energy: -151.519
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: 1
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -1883.570489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.570489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.570489 (E_RNA)
where:
Base-Base interactions energy: -1344.931
where: short stacking energy: -525.243
Base-Backbone interact. energy: -2.080
local terms energy: -536.559469
where:
bonds (distance) C4'-P energy: -103.164
bonds (distance) P-C4' energy: -102.400
flat angles C4'-P-C4' energy: -115.750
flat angles P-C4'-P energy: -81.626
tors. eta vs tors. theta energy: -133.620
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: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -1834.883298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.883298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.883298 (E_RNA)
where:
Base-Base interactions energy: -1315.472
where: short stacking energy: -532.160
Base-Backbone interact. energy: -1.363
local terms energy: -518.048676
where:
bonds (distance) C4'-P energy: -98.202
bonds (distance) P-C4' energy: -97.325
flat angles C4'-P-C4' energy: -116.886
flat angles P-C4'-P energy: -59.940
tors. eta vs tors. theta energy: -145.695
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: 3
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -1695.301439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.301439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.301439 (E_RNA)
where:
Base-Base interactions energy: -1202.994
where: short stacking energy: -498.705
Base-Backbone interact. energy: -1.347
local terms energy: -490.960727
where:
bonds (distance) C4'-P energy: -102.117
bonds (distance) P-C4' energy: -82.227
flat angles C4'-P-C4' energy: -102.513
flat angles P-C4'-P energy: -69.625
tors. eta vs tors. theta energy: -134.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -1571.126899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.126899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.126899 (E_RNA)
where:
Base-Base interactions energy: -1127.984
where: short stacking energy: -442.816
Base-Backbone interact. energy: 3.783
local terms energy: -446.925769
where:
bonds (distance) C4'-P energy: -78.964
bonds (distance) P-C4' energy: -93.744
flat angles C4'-P-C4' energy: -94.243
flat angles P-C4'-P energy: -64.407
tors. eta vs tors. theta energy: -115.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -1505.341744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.341744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.341744 (E_RNA)
where:
Base-Base interactions energy: -1058.933
where: short stacking energy: -469.307
Base-Backbone interact. energy: -2.043
local terms energy: -444.365658
where:
bonds (distance) C4'-P energy: -86.803
bonds (distance) P-C4' energy: -89.210
flat angles C4'-P-C4' energy: -102.587
flat angles P-C4'-P energy: -46.564
tors. eta vs tors. theta energy: -119.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -1450.932444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.932444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.932444 (E_RNA)
where:
Base-Base interactions energy: -998.251
where: short stacking energy: -421.633
Base-Backbone interact. energy: -2.355
local terms energy: -450.326470
where:
bonds (distance) C4'-P energy: -84.260
bonds (distance) P-C4' energy: -90.070
flat angles C4'-P-C4' energy: -96.802
flat angles P-C4'-P energy: -64.418
tors. eta vs tors. theta energy: -114.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -1322.841117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.841117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.841117 (E_RNA)
where:
Base-Base interactions energy: -904.092
where: short stacking energy: -379.663
Base-Backbone interact. energy: -1.114
local terms energy: -417.635514
where:
bonds (distance) C4'-P energy: -77.693
bonds (distance) P-C4' energy: -100.881
flat angles C4'-P-C4' energy: -95.972
flat angles P-C4'-P energy: -55.025
tors. eta vs tors. theta energy: -88.065
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: 9, replica: 6
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -1130.385595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.385595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.385595 (E_RNA)
where:
Base-Base interactions energy: -735.433
where: short stacking energy: -307.781
Base-Backbone interact. energy: -2.661
local terms energy: -392.291425
where:
bonds (distance) C4'-P energy: -96.636
bonds (distance) P-C4' energy: -79.689
flat angles C4'-P-C4' energy: -95.978
flat angles P-C4'-P energy: -59.450
tors. eta vs tors. theta energy: -60.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -1054.606701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.606701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.606701 (E_RNA)
where:
Base-Base interactions energy: -688.012
where: short stacking energy: -295.293
Base-Backbone interact. energy: 0.270
local terms energy: -366.864429
where:
bonds (distance) C4'-P energy: -69.963
bonds (distance) P-C4' energy: -97.568
flat angles C4'-P-C4' energy: -74.076
flat angles P-C4'-P energy: -71.094
tors. eta vs tors. theta energy: -54.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -1936.868408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.868408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.868408 (E_RNA)
where:
Base-Base interactions energy: -1396.205
where: short stacking energy: -566.169
Base-Backbone interact. energy: 0.268
local terms energy: -540.932139
where:
bonds (distance) C4'-P energy: -90.352
bonds (distance) P-C4' energy: -106.505
flat angles C4'-P-C4' energy: -121.675
flat angles P-C4'-P energy: -79.151
tors. eta vs tors. theta energy: -143.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -1887.661680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.661680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.661680 (E_RNA)
where:
Base-Base interactions energy: -1343.162
where: short stacking energy: -533.825
Base-Backbone interact. energy: -1.642
local terms energy: -542.857264
where:
bonds (distance) C4'-P energy: -97.018
bonds (distance) P-C4' energy: -111.054
flat angles C4'-P-C4' energy: -118.329
flat angles P-C4'-P energy: -73.517
tors. eta vs tors. theta energy: -142.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -1820.200882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.200882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.200882 (E_RNA)
where:
Base-Base interactions energy: -1288.836
where: short stacking energy: -508.601
Base-Backbone interact. energy: -3.720
local terms energy: -527.644783
where:
bonds (distance) C4'-P energy: -100.366
bonds (distance) P-C4' energy: -93.222
flat angles C4'-P-C4' energy: -101.803
flat angles P-C4'-P energy: -90.067
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: 4, replica: 3
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -1695.578745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.578745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.578745 (E_RNA)
where:
Base-Base interactions energy: -1197.508
where: short stacking energy: -470.641
Base-Backbone interact. energy: 0.107
local terms energy: -498.177720
where:
bonds (distance) C4'-P energy: -80.336
bonds (distance) P-C4' energy: -108.643
flat angles C4'-P-C4' energy: -106.559
flat angles P-C4'-P energy: -74.711
tors. eta vs tors. theta energy: -127.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -1576.013848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.013848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.013848 (E_RNA)
where:
Base-Base interactions energy: -1132.671
where: short stacking energy: -444.478
Base-Backbone interact. energy: 2.926
local terms energy: -446.268379
where:
bonds (distance) C4'-P energy: -76.248
bonds (distance) P-C4' energy: -100.616
flat angles C4'-P-C4' energy: -92.775
flat angles P-C4'-P energy: -60.567
tors. eta vs tors. theta energy: -116.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -1457.613856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.613856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.613856 (E_RNA)
where:
Base-Base interactions energy: -1028.067
where: short stacking energy: -413.954
Base-Backbone interact. energy: 2.369
local terms energy: -431.915519
where:
bonds (distance) C4'-P energy: -71.904
bonds (distance) P-C4' energy: -79.339
flat angles C4'-P-C4' energy: -106.952
flat angles P-C4'-P energy: -69.543
tors. eta vs tors. theta energy: -104.177
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: 7
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -1488.994094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.994094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.994094 (E_RNA)
where:
Base-Base interactions energy: -1030.324
where: short stacking energy: -431.670
Base-Backbone interact. energy: -1.818
local terms energy: -456.852239
where:
bonds (distance) C4'-P energy: -76.253
bonds (distance) P-C4' energy: -97.467
flat angles C4'-P-C4' energy: -99.855
flat angles P-C4'-P energy: -74.970
tors. eta vs tors. theta energy: -108.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -1296.247491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.247491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.247491 (E_RNA)
where:
Base-Base interactions energy: -900.946
where: short stacking energy: -364.185
Base-Backbone interact. energy: -1.688
local terms energy: -393.613862
where:
bonds (distance) C4'-P energy: -83.738
bonds (distance) P-C4' energy: -91.014
flat angles C4'-P-C4' energy: -85.948
flat angles P-C4'-P energy: -53.586
tors. eta vs tors. theta energy: -79.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -1086.269174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.269174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.269174 (E_RNA)
where:
Base-Base interactions energy: -728.334
where: short stacking energy: -328.033
Base-Backbone interact. energy: -0.080
local terms energy: -357.855085
where:
bonds (distance) C4'-P energy: -81.079
bonds (distance) P-C4' energy: -68.316
flat angles C4'-P-C4' energy: -83.420
flat angles P-C4'-P energy: -43.143
tors. eta vs tors. theta energy: -81.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -1065.536276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.536276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.536276 (E_RNA)
where:
Base-Base interactions energy: -699.184
where: short stacking energy: -303.486
Base-Backbone interact. energy: 1.933
local terms energy: -368.286068
where:
bonds (distance) C4'-P energy: -88.388
bonds (distance) P-C4' energy: -92.489
flat angles C4'-P-C4' energy: -73.452
flat angles P-C4'-P energy: -46.968
tors. eta vs tors. theta energy: -66.989
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: 1
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -1952.265856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.265856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.265856 (E_RNA)
where:
Base-Base interactions energy: -1390.735
where: short stacking energy: -568.720
Base-Backbone interact. energy: -4.857
local terms energy: -556.673093
where:
bonds (distance) C4'-P energy: -98.709
bonds (distance) P-C4' energy: -104.051
flat angles C4'-P-C4' energy: -118.505
flat angles P-C4'-P energy: -78.590
tors. eta vs tors. theta energy: -156.819
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: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -1901.557640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.557640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.557640 (E_RNA)
where:
Base-Base interactions energy: -1346.327
where: short stacking energy: -518.179
Base-Backbone interact. energy: -0.547
local terms energy: -554.683603
where:
bonds (distance) C4'-P energy: -113.328
bonds (distance) P-C4' energy: -98.148
flat angles C4'-P-C4' energy: -120.496
flat angles P-C4'-P energy: -75.242
tors. eta vs tors. theta energy: -147.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -1814.230050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.230050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.230050 (E_RNA)
where:
Base-Base interactions energy: -1285.693
where: short stacking energy: -534.206
Base-Backbone interact. energy: -3.824
local terms energy: -524.713967
where:
bonds (distance) C4'-P energy: -92.164
bonds (distance) P-C4' energy: -110.195
flat angles C4'-P-C4' energy: -111.169
flat angles P-C4'-P energy: -67.933
tors. eta vs tors. theta energy: -143.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -1713.602235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.602235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.602235 (E_RNA)
where:
Base-Base interactions energy: -1213.472
where: short stacking energy: -474.129
Base-Backbone interact. energy: 0.937
local terms energy: -501.066970
where:
bonds (distance) C4'-P energy: -93.553
bonds (distance) P-C4' energy: -95.575
flat angles C4'-P-C4' energy: -114.312
flat angles P-C4'-P energy: -73.527
tors. eta vs tors. theta energy: -124.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -1602.055985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.055985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.055985 (E_RNA)
where:
Base-Base interactions energy: -1126.427
where: short stacking energy: -447.799
Base-Backbone interact. energy: 1.349
local terms energy: -476.977902
where:
bonds (distance) C4'-P energy: -83.960
bonds (distance) P-C4' energy: -87.409
flat angles C4'-P-C4' energy: -111.493
flat angles P-C4'-P energy: -76.893
tors. eta vs tors. theta energy: -117.223
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: 9
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -1507.885887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.885887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.885887 (E_RNA)
where:
Base-Base interactions energy: -1027.892
where: short stacking energy: -434.055
Base-Backbone interact. energy: -1.671
local terms energy: -478.322153
where:
bonds (distance) C4'-P energy: -77.136
bonds (distance) P-C4' energy: -91.796
flat angles C4'-P-C4' energy: -114.720
flat angles P-C4'-P energy: -73.720
tors. eta vs tors. theta energy: -120.950
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: 117
Temperature: 1.200000
Total energy: -1462.706722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.706722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.706722 (E_RNA)
where:
Base-Base interactions energy: -1019.423
where: short stacking energy: -422.270
Base-Backbone interact. energy: -0.375
local terms energy: -442.909277
where:
bonds (distance) C4'-P energy: -87.499
bonds (distance) P-C4' energy: -81.128
flat angles C4'-P-C4' energy: -101.583
flat angles P-C4'-P energy: -56.373
tors. eta vs tors. theta energy: -116.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -1316.021666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.021666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.021666 (E_RNA)
where:
Base-Base interactions energy: -913.173
where: short stacking energy: -365.131
Base-Backbone interact. energy: -4.332
local terms energy: -398.516947
where:
bonds (distance) C4'-P energy: -81.507
bonds (distance) P-C4' energy: -91.692
flat angles C4'-P-C4' energy: -97.472
flat angles P-C4'-P energy: -52.292
tors. eta vs tors. theta energy: -75.554
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: 9, replica: 10
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -1080.915883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.915883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.915883 (E_RNA)
where:
Base-Base interactions energy: -749.441
where: short stacking energy: -292.259
Base-Backbone interact. energy: 1.116
local terms energy: -332.590586
where:
bonds (distance) C4'-P energy: -59.819
bonds (distance) P-C4' energy: -85.544
flat angles C4'-P-C4' energy: -79.432
flat angles P-C4'-P energy: -54.418
tors. eta vs tors. theta energy: -53.377
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: 6
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -1088.297411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.297411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.297411 (E_RNA)
where:
Base-Base interactions energy: -708.952
where: short stacking energy: -304.730
Base-Backbone interact. energy: -2.326
local terms energy: -377.020096
where:
bonds (distance) C4'-P energy: -88.146
bonds (distance) P-C4' energy: -94.246
flat angles C4'-P-C4' energy: -76.038
flat angles P-C4'-P energy: -55.995
tors. eta vs tors. theta energy: -62.594
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: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -1944.836779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.836779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.836779 (E_RNA)
where:
Base-Base interactions energy: -1365.802
where: short stacking energy: -564.103
Base-Backbone interact. energy: -7.587
local terms energy: -571.447903
where:
bonds (distance) C4'-P energy: -93.913
bonds (distance) P-C4' energy: -111.254
flat angles C4'-P-C4' energy: -126.125
flat angles P-C4'-P energy: -86.346
tors. eta vs tors. theta energy: -153.809
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: 1
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -1879.018542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.018542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.018542 (E_RNA)
where:
Base-Base interactions energy: -1344.807
where: short stacking energy: -555.414
Base-Backbone interact. energy: -4.275
local terms energy: -529.936180
where:
bonds (distance) C4'-P energy: -97.054
bonds (distance) P-C4' energy: -97.682
flat angles C4'-P-C4' energy: -113.141
flat angles P-C4'-P energy: -75.068
tors. eta vs tors. theta energy: -146.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -1810.003664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.003664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.003664 (E_RNA)
where:
Base-Base interactions energy: -1260.499
where: short stacking energy: -546.903
Base-Backbone interact. energy: -0.677
local terms energy: -548.827113
where:
bonds (distance) C4'-P energy: -92.271
bonds (distance) P-C4' energy: -102.080
flat angles C4'-P-C4' energy: -117.746
flat angles P-C4'-P energy: -80.983
tors. eta vs tors. theta energy: -155.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -1703.314785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.314785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.314785 (E_RNA)
where:
Base-Base interactions energy: -1207.135
where: short stacking energy: -471.948
Base-Backbone interact. energy: -2.023
local terms energy: -494.156701
where:
bonds (distance) C4'-P energy: -100.174
bonds (distance) P-C4' energy: -104.921
flat angles C4'-P-C4' energy: -110.292
flat angles P-C4'-P energy: -66.664
tors. eta vs tors. theta energy: -112.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -1628.439210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.439210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.439210 (E_RNA)
where:
Base-Base interactions energy: -1126.875
where: short stacking energy: -478.998
Base-Backbone interact. energy: -2.108
local terms energy: -499.456032
where:
bonds (distance) C4'-P energy: -89.329
bonds (distance) P-C4' energy: -97.979
flat angles C4'-P-C4' energy: -107.172
flat angles P-C4'-P energy: -79.522
tors. eta vs tors. theta energy: -125.454
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: 9
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -1527.587696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.587696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.587696 (E_RNA)
where:
Base-Base interactions energy: -1055.647
where: short stacking energy: -457.126
Base-Backbone interact. energy: 0.069
local terms energy: -472.010006
where:
bonds (distance) C4'-P energy: -96.301
bonds (distance) P-C4' energy: -72.338
flat angles C4'-P-C4' energy: -116.729
flat angles P-C4'-P energy: -55.466
tors. eta vs tors. theta energy: -131.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -1429.333855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1429.333855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1429.333855 (E_RNA)
where:
Base-Base interactions energy: -1010.209
where: short stacking energy: -395.653
Base-Backbone interact. energy: 3.395
local terms energy: -422.519504
where:
bonds (distance) C4'-P energy: -84.647
bonds (distance) P-C4' energy: -90.034
flat angles C4'-P-C4' energy: -96.743
flat angles P-C4'-P energy: -70.776
tors. eta vs tors. theta energy: -80.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -1320.038419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.038419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.038419 (E_RNA)
where:
Base-Base interactions energy: -894.761
where: short stacking energy: -355.961
Base-Backbone interact. energy: -0.144
local terms energy: -425.134102
where:
bonds (distance) C4'-P energy: -96.658
bonds (distance) P-C4' energy: -84.399
flat angles C4'-P-C4' energy: -96.711
flat angles P-C4'-P energy: -60.938
tors. eta vs tors. theta energy: -86.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -1107.085205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.085205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.085205 (E_RNA)
where:
Base-Base interactions energy: -751.430
where: short stacking energy: -312.458
Base-Backbone interact. energy: 0.551
local terms energy: -356.206362
where:
bonds (distance) C4'-P energy: -77.948
bonds (distance) P-C4' energy: -90.622
flat angles C4'-P-C4' energy: -79.071
flat angles P-C4'-P energy: -46.002
tors. eta vs tors. theta energy: -62.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -1008.611295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1008.611295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1008.611295 (E_RNA)
where:
Base-Base interactions energy: -662.065
where: short stacking energy: -271.325
Base-Backbone interact. energy: 1.004
local terms energy: -347.550093
where:
bonds (distance) C4'-P energy: -88.341
bonds (distance) P-C4' energy: -84.438
flat angles C4'-P-C4' energy: -78.817
flat angles P-C4'-P energy: -52.674
tors. eta vs tors. theta energy: -43.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -1953.358889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.358889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.358889 (E_RNA)
where:
Base-Base interactions energy: -1401.820
where: short stacking energy: -556.389
Base-Backbone interact. energy: 4.882
local terms energy: -556.421173
where:
bonds (distance) C4'-P energy: -107.145
bonds (distance) P-C4' energy: -96.059
flat angles C4'-P-C4' energy: -123.891
flat angles P-C4'-P energy: -80.469
tors. eta vs tors. theta energy: -148.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -1886.513551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.513551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.513551 (E_RNA)
where:
Base-Base interactions energy: -1331.147
where: short stacking energy: -541.975
Base-Backbone interact. energy: -3.632
local terms energy: -551.734601
where:
bonds (distance) C4'-P energy: -112.578
bonds (distance) P-C4' energy: -96.007
flat angles C4'-P-C4' energy: -115.724
flat angles P-C4'-P energy: -79.928
tors. eta vs tors. theta energy: -147.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -1778.283557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.283557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.283557 (E_RNA)
where:
Base-Base interactions energy: -1243.763
where: short stacking energy: -500.874
Base-Backbone interact. energy: -3.111
local terms energy: -531.410015
where:
bonds (distance) C4'-P energy: -88.368
bonds (distance) P-C4' energy: -102.457
flat angles C4'-P-C4' energy: -117.066
flat angles P-C4'-P energy: -79.194
tors. eta vs tors. theta energy: -144.325
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: 3
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -1690.736383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.736383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.736383 (E_RNA)
where:
Base-Base interactions energy: -1199.209
where: short stacking energy: -504.590
Base-Backbone interact. energy: 1.413
local terms energy: -492.939928
where:
bonds (distance) C4'-P energy: -88.482
bonds (distance) P-C4' energy: -90.143
flat angles C4'-P-C4' energy: -108.303
flat angles P-C4'-P energy: -69.033
tors. eta vs tors. theta energy: -136.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -1647.533356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.533356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.533356 (E_RNA)
where:
Base-Base interactions energy: -1176.779
where: short stacking energy: -481.647
Base-Backbone interact. energy: -0.379
local terms energy: -470.375352
where:
bonds (distance) C4'-P energy: -89.838
bonds (distance) P-C4' energy: -93.112
flat angles C4'-P-C4' energy: -114.726
flat angles P-C4'-P energy: -50.609
tors. eta vs tors. theta energy: -122.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -1505.653013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.653013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.653013 (E_RNA)
where:
Base-Base interactions energy: -1038.395
where: short stacking energy: -440.640
Base-Backbone interact. energy: -4.737
local terms energy: -462.521575
where:
bonds (distance) C4'-P energy: -77.286
bonds (distance) P-C4' energy: -99.245
flat angles C4'-P-C4' energy: -103.849
flat angles P-C4'-P energy: -62.742
tors. eta vs tors. theta energy: -119.400
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: 7, replica: 7
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -1384.879822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.879822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.879822 (E_RNA)
where:
Base-Base interactions energy: -960.488
where: short stacking energy: -412.133
Base-Backbone interact. energy: 3.918
local terms energy: -428.309405
where:
bonds (distance) C4'-P energy: -81.373
bonds (distance) P-C4' energy: -91.070
flat angles C4'-P-C4' energy: -93.248
flat angles P-C4'-P energy: -66.609
tors. eta vs tors. theta energy: -96.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -1339.628378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1339.628378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1339.628378 (E_RNA)
where:
Base-Base interactions energy: -917.866
where: short stacking energy: -375.540
Base-Backbone interact. energy: -1.969
local terms energy: -419.793439
where:
bonds (distance) C4'-P energy: -86.418
bonds (distance) P-C4' energy: -80.133
flat angles C4'-P-C4' energy: -101.019
flat angles P-C4'-P energy: -62.015
tors. eta vs tors. theta energy: -90.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -1134.906885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.906885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.906885 (E_RNA)
where:
Base-Base interactions energy: -762.464
where: short stacking energy: -330.999
Base-Backbone interact. energy: -1.555
local terms energy: -370.887940
where:
bonds (distance) C4'-P energy: -79.645
bonds (distance) P-C4' energy: -98.954
flat angles C4'-P-C4' energy: -79.207
flat angles P-C4'-P energy: -43.490
tors. eta vs tors. theta energy: -69.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -1015.904973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.904973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.904973 (E_RNA)
where:
Base-Base interactions energy: -672.674
where: short stacking energy: -302.533
Base-Backbone interact. energy: -0.360
local terms energy: -342.870807
where:
bonds (distance) C4'-P energy: -77.895
bonds (distance) P-C4' energy: -95.242
flat angles C4'-P-C4' energy: -78.849
flat angles P-C4'-P energy: -42.289
tors. eta vs tors. theta energy: -48.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -1927.164224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.164224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.164224 (E_RNA)
where:
Base-Base interactions energy: -1358.857
where: short stacking energy: -562.095
Base-Backbone interact. energy: -2.871
local terms energy: -565.436783
where:
bonds (distance) C4'-P energy: -110.852
bonds (distance) P-C4' energy: -110.145
flat angles C4'-P-C4' energy: -116.589
flat angles P-C4'-P energy: -74.631
tors. eta vs tors. theta energy: -153.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -1847.024246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.024246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.024246 (E_RNA)
where:
Base-Base interactions energy: -1308.372
where: short stacking energy: -540.911
Base-Backbone interact. energy: -3.957
local terms energy: -534.694958
where:
bonds (distance) C4'-P energy: -101.494
bonds (distance) P-C4' energy: -101.584
flat angles C4'-P-C4' energy: -106.988
flat angles P-C4'-P energy: -74.943
tors. eta vs tors. theta energy: -149.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -1788.596975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.596975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.596975 (E_RNA)
where:
Base-Base interactions energy: -1264.484
where: short stacking energy: -502.102
Base-Backbone interact. energy: -1.279
local terms energy: -522.833287
where:
bonds (distance) C4'-P energy: -93.370
bonds (distance) P-C4' energy: -106.284
flat angles C4'-P-C4' energy: -110.322
flat angles P-C4'-P energy: -75.765
tors. eta vs tors. theta energy: -137.093
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: 3
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -1701.204061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.204061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.204061 (E_RNA)
where:
Base-Base interactions energy: -1225.172
where: short stacking energy: -453.908
Base-Backbone interact. energy: -0.509
local terms energy: -475.523274
where:
bonds (distance) C4'-P energy: -91.058
bonds (distance) P-C4' energy: -91.369
flat angles C4'-P-C4' energy: -96.732
flat angles P-C4'-P energy: -72.957
tors. eta vs tors. theta energy: -123.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -1600.842201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1600.842201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1600.842201 (E_RNA)
where:
Base-Base interactions energy: -1143.825
where: short stacking energy: -450.025
Base-Backbone interact. energy: 0.815
local terms energy: -457.832187
where:
bonds (distance) C4'-P energy: -87.442
bonds (distance) P-C4' energy: -99.925
flat angles C4'-P-C4' energy: -92.281
flat angles P-C4'-P energy: -63.686
tors. eta vs tors. theta energy: -114.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -1519.145265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.145265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.145265 (E_RNA)
where:
Base-Base interactions energy: -1046.991
where: short stacking energy: -457.394
Base-Backbone interact. energy: -1.352
local terms energy: -470.802429
where:
bonds (distance) C4'-P energy: -83.469
bonds (distance) P-C4' energy: -103.337
flat angles C4'-P-C4' energy: -107.944
flat angles P-C4'-P energy: -66.693
tors. eta vs tors. theta energy: -109.361
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: 7
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -1435.975753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.975753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.975753 (E_RNA)
where:
Base-Base interactions energy: -971.187
where: short stacking energy: -408.182
Base-Backbone interact. energy: -1.550
local terms energy: -463.238176
where:
bonds (distance) C4'-P energy: -94.751
bonds (distance) P-C4' energy: -84.733
flat angles C4'-P-C4' energy: -103.029
flat angles P-C4'-P energy: -71.155
tors. eta vs tors. theta energy: -109.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -1354.252993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.252993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.252993 (E_RNA)
where:
Base-Base interactions energy: -944.760
where: short stacking energy: -370.722
Base-Backbone interact. energy: 2.714
local terms energy: -412.207080
where:
bonds (distance) C4'-P energy: -89.326
bonds (distance) P-C4' energy: -98.046
flat angles C4'-P-C4' energy: -93.234
flat angles P-C4'-P energy: -51.492
tors. eta vs tors. theta energy: -80.109
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: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -1123.283099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.283099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.283099 (E_RNA)
where:
Base-Base interactions energy: -753.828
where: short stacking energy: -307.778
Base-Backbone interact. energy: 0.005
local terms energy: -369.460359
where:
bonds (distance) C4'-P energy: -78.799
bonds (distance) P-C4' energy: -82.167
flat angles C4'-P-C4' energy: -86.937
flat angles P-C4'-P energy: -55.697
tors. eta vs tors. theta energy: -65.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -1029.517869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.517869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.517869 (E_RNA)
where:
Base-Base interactions energy: -699.062
where: short stacking energy: -297.527
Base-Backbone interact. energy: 1.938
local terms energy: -332.394127
where:
bonds (distance) C4'-P energy: -70.833
bonds (distance) P-C4' energy: -73.029
flat angles C4'-P-C4' energy: -93.788
flat angles P-C4'-P energy: -50.939
tors. eta vs tors. theta energy: -43.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -1938.574815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.574815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.574815 (E_RNA)
where:
Base-Base interactions energy: -1387.910
where: short stacking energy: -545.740
Base-Backbone interact. energy: 3.171
local terms energy: -553.835898
where:
bonds (distance) C4'-P energy: -114.394
bonds (distance) P-C4' energy: -104.404
flat angles C4'-P-C4' energy: -121.046
flat angles P-C4'-P energy: -66.563
tors. eta vs tors. theta energy: -147.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -1879.820800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.820800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.820800 (E_RNA)
where:
Base-Base interactions energy: -1336.235
where: short stacking energy: -546.035
Base-Backbone interact. energy: -3.377
local terms energy: -540.208916
where:
bonds (distance) C4'-P energy: -87.921
bonds (distance) P-C4' energy: -101.699
flat angles C4'-P-C4' energy: -117.178
flat angles P-C4'-P energy: -85.849
tors. eta vs tors. theta energy: -147.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -1791.130080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.130080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.130080 (E_RNA)
where:
Base-Base interactions energy: -1273.626
where: short stacking energy: -506.753
Base-Backbone interact. energy: 0.179
local terms energy: -517.683313
where:
bonds (distance) C4'-P energy: -95.485
bonds (distance) P-C4' energy: -93.798
flat angles C4'-P-C4' energy: -111.692
flat angles P-C4'-P energy: -77.411
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: 4, replica: 3
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -1687.635337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.635337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.635337 (E_RNA)
where:
Base-Base interactions energy: -1190.688
where: short stacking energy: -472.690
Base-Backbone interact. energy: -4.523
local terms energy: -492.424354
where:
bonds (distance) C4'-P energy: -91.866
bonds (distance) P-C4' energy: -106.433
flat angles C4'-P-C4' energy: -99.159
flat angles P-C4'-P energy: -70.464
tors. eta vs tors. theta energy: -124.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -1606.403203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.403203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.403203 (E_RNA)
where:
Base-Base interactions energy: -1123.780
where: short stacking energy: -445.712
Base-Backbone interact. energy: 3.030
local terms energy: -485.653427
where:
bonds (distance) C4'-P energy: -98.865
bonds (distance) P-C4' energy: -85.523
flat angles C4'-P-C4' energy: -105.342
flat angles P-C4'-P energy: -77.571
tors. eta vs tors. theta energy: -118.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -1475.233079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.233079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.233079 (E_RNA)
where:
Base-Base interactions energy: -1026.870
where: short stacking energy: -446.343
Base-Backbone interact. energy: -1.184
local terms energy: -447.178603
where:
bonds (distance) C4'-P energy: -87.377
bonds (distance) P-C4' energy: -93.161
flat angles C4'-P-C4' energy: -74.721
flat angles P-C4'-P energy: -67.799
tors. eta vs tors. theta energy: -124.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -1473.628776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.628776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.628776 (E_RNA)
where:
Base-Base interactions energy: -1016.484
where: short stacking energy: -446.694
Base-Backbone interact. energy: -2.186
local terms energy: -454.958752
where:
bonds (distance) C4'-P energy: -84.080
bonds (distance) P-C4' energy: -82.423
flat angles C4'-P-C4' energy: -97.738
flat angles P-C4'-P energy: -72.140
tors. eta vs tors. theta energy: -118.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -1321.571972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.571972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.571972 (E_RNA)
where:
Base-Base interactions energy: -897.440
where: short stacking energy: -375.637
Base-Backbone interact. energy: -1.074
local terms energy: -423.058458
where:
bonds (distance) C4'-P energy: -95.267
bonds (distance) P-C4' energy: -92.083
flat angles C4'-P-C4' energy: -91.797
flat angles P-C4'-P energy: -47.283
tors. eta vs tors. theta energy: -96.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -1108.151835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.151835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.151835 (E_RNA)
where:
Base-Base interactions energy: -728.140
where: short stacking energy: -333.083
Base-Backbone interact. energy: -2.005
local terms energy: -378.007222
where:
bonds (distance) C4'-P energy: -84.135
bonds (distance) P-C4' energy: -85.744
flat angles C4'-P-C4' energy: -87.307
flat angles P-C4'-P energy: -50.541
tors. eta vs tors. theta energy: -70.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -992.857210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.857210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.857210 (E_RNA)
where:
Base-Base interactions energy: -660.597
where: short stacking energy: -270.605
Base-Backbone interact. energy: -1.842
local terms energy: -330.418278
where:
bonds (distance) C4'-P energy: -79.019
bonds (distance) P-C4' energy: -88.823
flat angles C4'-P-C4' energy: -75.819
flat angles P-C4'-P energy: -50.162
tors. eta vs tors. theta energy: -36.594
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: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -1947.502944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.502944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.502944 (E_RNA)
where:
Base-Base interactions energy: -1381.520
where: short stacking energy: -554.360
Base-Backbone interact. energy: -4.323
local terms energy: -561.660012
where:
bonds (distance) C4'-P energy: -95.806
bonds (distance) P-C4' energy: -109.176
flat angles C4'-P-C4' energy: -119.465
flat angles P-C4'-P energy: -78.484
tors. eta vs tors. theta energy: -158.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -1899.307779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.307779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.307779 (E_RNA)
where:
Base-Base interactions energy: -1367.571
where: short stacking energy: -534.478
Base-Backbone interact. energy: -0.779
local terms energy: -530.957823
where:
bonds (distance) C4'-P energy: -96.404
bonds (distance) P-C4' energy: -88.489
flat angles C4'-P-C4' energy: -117.403
flat angles P-C4'-P energy: -83.932
tors. eta vs tors. theta energy: -144.729
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: 2
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -1793.440230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.440230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.440230 (E_RNA)
where:
Base-Base interactions energy: -1272.163
where: short stacking energy: -487.113
Base-Backbone interact. energy: -3.585
local terms energy: -517.691914
where:
bonds (distance) C4'-P energy: -90.299
bonds (distance) P-C4' energy: -97.344
flat angles C4'-P-C4' energy: -108.623
flat angles P-C4'-P energy: -75.333
tors. eta vs tors. theta energy: -146.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -1720.059307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.059307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.059307 (E_RNA)
where:
Base-Base interactions energy: -1216.725
where: short stacking energy: -487.384
Base-Backbone interact. energy: -5.052
local terms energy: -498.283037
where:
bonds (distance) C4'-P energy: -90.708
bonds (distance) P-C4' energy: -100.730
flat angles C4'-P-C4' energy: -108.603
flat angles P-C4'-P energy: -72.278
tors. eta vs tors. theta energy: -125.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -1613.022771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.022771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.022771 (E_RNA)
where:
Base-Base interactions energy: -1142.233
where: short stacking energy: -474.718
Base-Backbone interact. energy: -0.848
local terms energy: -469.941483
where:
bonds (distance) C4'-P energy: -92.866
bonds (distance) P-C4' energy: -97.534
flat angles C4'-P-C4' energy: -105.478
flat angles P-C4'-P energy: -70.092
tors. eta vs tors. theta energy: -103.971
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: 7
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -1498.103832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.103832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.103832 (E_RNA)
where:
Base-Base interactions energy: -1041.978
where: short stacking energy: -441.291
Base-Backbone interact. energy: -3.413
local terms energy: -452.712439
where:
bonds (distance) C4'-P energy: -100.887
bonds (distance) P-C4' energy: -96.879
flat angles C4'-P-C4' energy: -85.144
flat angles P-C4'-P energy: -51.682
tors. eta vs tors. theta energy: -118.122
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: 7, replica: 9
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -1459.861017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.861017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.861017 (E_RNA)
where:
Base-Base interactions energy: -1038.389
where: short stacking energy: -418.796
Base-Backbone interact. energy: -1.745
local terms energy: -419.726820
where:
bonds (distance) C4'-P energy: -89.831
bonds (distance) P-C4' energy: -84.409
flat angles C4'-P-C4' energy: -92.982
flat angles P-C4'-P energy: -57.574
tors. eta vs tors. theta energy: -94.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -1299.881143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.881143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.881143 (E_RNA)
where:
Base-Base interactions energy: -895.743
where: short stacking energy: -373.656
Base-Backbone interact. energy: -2.669
local terms energy: -401.469915
where:
bonds (distance) C4'-P energy: -86.662
bonds (distance) P-C4' energy: -92.013
flat angles C4'-P-C4' energy: -97.487
flat angles P-C4'-P energy: -48.476
tors. eta vs tors. theta energy: -76.831
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: 6
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -1144.686521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.686521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.686521 (E_RNA)
where:
Base-Base interactions energy: -782.805
where: short stacking energy: -340.590
Base-Backbone interact. energy: -0.978
local terms energy: -360.903735
where:
bonds (distance) C4'-P energy: -66.747
bonds (distance) P-C4' energy: -97.057
flat angles C4'-P-C4' energy: -75.880
flat angles P-C4'-P energy: -53.148
tors. eta vs tors. theta energy: -68.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -976.224121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -976.224121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -976.224121 (E_RNA)
where:
Base-Base interactions energy: -634.953
where: short stacking energy: -284.179
Base-Backbone interact. energy: -2.529
local terms energy: -338.742110
where:
bonds (distance) C4'-P energy: -77.163
bonds (distance) P-C4' energy: -90.394
flat angles C4'-P-C4' energy: -88.912
flat angles P-C4'-P energy: -49.253
tors. eta vs tors. theta energy: -33.021
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: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -1940.140406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.140406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.140406 (E_RNA)
where:
Base-Base interactions energy: -1381.081
where: short stacking energy: -569.573
Base-Backbone interact. energy: -4.488
local terms energy: -554.572204
where:
bonds (distance) C4'-P energy: -92.936
bonds (distance) P-C4' energy: -105.107
flat angles C4'-P-C4' energy: -128.399
flat angles P-C4'-P energy: -74.113
tors. eta vs tors. theta energy: -154.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -1891.662044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.662044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.662044 (E_RNA)
where:
Base-Base interactions energy: -1353.475
where: short stacking energy: -528.731
Base-Backbone interact. energy: -1.138
local terms energy: -537.048938
where:
bonds (distance) C4'-P energy: -97.327
bonds (distance) P-C4' energy: -98.048
flat angles C4'-P-C4' energy: -117.680
flat angles P-C4'-P energy: -72.673
tors. eta vs tors. theta energy: -151.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -1775.278687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.278687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.278687 (E_RNA)
where:
Base-Base interactions energy: -1237.460
where: short stacking energy: -505.070
Base-Backbone interact. energy: -1.940
local terms energy: -535.878025
where:
bonds (distance) C4'-P energy: -105.492
bonds (distance) P-C4' energy: -105.835
flat angles C4'-P-C4' energy: -111.429
flat angles P-C4'-P energy: -72.916
tors. eta vs tors. theta energy: -140.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -1675.140048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.140048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.140048 (E_RNA)
where:
Base-Base interactions energy: -1181.474
where: short stacking energy: -463.829
Base-Backbone interact. energy: -2.879
local terms energy: -490.786844
where:
bonds (distance) C4'-P energy: -92.563
bonds (distance) P-C4' energy: -89.303
flat angles C4'-P-C4' energy: -112.335
flat angles P-C4'-P energy: -73.952
tors. eta vs tors. theta energy: -122.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -1586.465546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.465546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.465546 (E_RNA)
where:
Base-Base interactions energy: -1109.101
where: short stacking energy: -472.971
Base-Backbone interact. energy: 0.162
local terms energy: -477.526200
where:
bonds (distance) C4'-P energy: -95.335
bonds (distance) P-C4' energy: -99.527
flat angles C4'-P-C4' energy: -100.924
flat angles P-C4'-P energy: -68.220
tors. eta vs tors. theta energy: -113.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -1503.097061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.097061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.097061 (E_RNA)
where:
Base-Base interactions energy: -1044.318
where: short stacking energy: -454.534
Base-Backbone interact. energy: -1.674
local terms energy: -457.104994
where:
bonds (distance) C4'-P energy: -77.004
bonds (distance) P-C4' energy: -81.348
flat angles C4'-P-C4' energy: -107.935
flat angles P-C4'-P energy: -73.641
tors. eta vs tors. theta energy: -117.177
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: 9
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -1472.934113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.934113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.934113 (E_RNA)
where:
Base-Base interactions energy: -1021.807
where: short stacking energy: -424.171
Base-Backbone interact. energy: -1.114
local terms energy: -450.013220
where:
bonds (distance) C4'-P energy: -79.493
bonds (distance) P-C4' energy: -98.870
flat angles C4'-P-C4' energy: -94.251
flat angles P-C4'-P energy: -62.220
tors. eta vs tors. theta energy: -115.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -1290.892317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.892317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.892317 (E_RNA)
where:
Base-Base interactions energy: -904.647
where: short stacking energy: -342.038
Base-Backbone interact. energy: -0.310
local terms energy: -385.935226
where:
bonds (distance) C4'-P energy: -93.648
bonds (distance) P-C4' energy: -93.260
flat angles C4'-P-C4' energy: -79.351
flat angles P-C4'-P energy: -38.585
tors. eta vs tors. theta energy: -81.092
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: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -1148.908844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.908844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.908844 (E_RNA)
where:
Base-Base interactions energy: -788.578
where: short stacking energy: -350.065
Base-Backbone interact. energy: -0.870
local terms energy: -359.460438
where:
bonds (distance) C4'-P energy: -82.311
bonds (distance) P-C4' energy: -73.446
flat angles C4'-P-C4' energy: -87.466
flat angles P-C4'-P energy: -54.420
tors. eta vs tors. theta energy: -61.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -1056.205657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1056.205657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1056.205657 (E_RNA)
where:
Base-Base interactions energy: -711.630
where: short stacking energy: -302.486
Base-Backbone interact. energy: -1.921
local terms energy: -342.654996
where:
bonds (distance) C4'-P energy: -72.668
bonds (distance) P-C4' energy: -79.544
flat angles C4'-P-C4' energy: -78.662
flat angles P-C4'-P energy: -54.914
tors. eta vs tors. theta energy: -56.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -1942.618109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.618109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.618109 (E_RNA)
where:
Base-Base interactions energy: -1380.199
where: short stacking energy: -561.107
Base-Backbone interact. energy: -2.623
local terms energy: -559.796819
where:
bonds (distance) C4'-P energy: -105.800
bonds (distance) P-C4' energy: -97.368
flat angles C4'-P-C4' energy: -120.595
flat angles P-C4'-P energy: -84.097
tors. eta vs tors. theta energy: -151.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -1893.330524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.330524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.330524 (E_RNA)
where:
Base-Base interactions energy: -1372.584
where: short stacking energy: -535.488
Base-Backbone interact. energy: -3.126
local terms energy: -517.619932
where:
bonds (distance) C4'-P energy: -86.266
bonds (distance) P-C4' energy: -94.381
flat angles C4'-P-C4' energy: -125.940
flat angles P-C4'-P energy: -63.521
tors. eta vs tors. theta energy: -147.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -1776.231859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.231859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.231859 (E_RNA)
where:
Base-Base interactions energy: -1245.022
where: short stacking energy: -506.946
Base-Backbone interact. energy: -2.628
local terms energy: -528.582773
where:
bonds (distance) C4'-P energy: -97.347
bonds (distance) P-C4' energy: -103.421
flat angles C4'-P-C4' energy: -111.942
flat angles P-C4'-P energy: -76.706
tors. eta vs tors. theta energy: -139.166
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: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -1708.403867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.403867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.403867 (E_RNA)
where:
Base-Base interactions energy: -1193.402
where: short stacking energy: -496.265
Base-Backbone interact. energy: -3.323
local terms energy: -511.678203
where:
bonds (distance) C4'-P energy: -87.658
bonds (distance) P-C4' energy: -102.627
flat angles C4'-P-C4' energy: -116.496
flat angles P-C4'-P energy: -72.964
tors. eta vs tors. theta energy: -131.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -1578.249297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.249297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.249297 (E_RNA)
where:
Base-Base interactions energy: -1123.834
where: short stacking energy: -461.001
Base-Backbone interact. energy: -1.448
local terms energy: -452.967822
where:
bonds (distance) C4'-P energy: -80.709
bonds (distance) P-C4' energy: -102.437
flat angles C4'-P-C4' energy: -94.931
flat angles P-C4'-P energy: -69.577
tors. eta vs tors. theta energy: -105.315
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: 6, replica: 7
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -1508.328020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.328020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.328020 (E_RNA)
where:
Base-Base interactions energy: -1051.404
where: short stacking energy: -430.588
Base-Backbone interact. energy: -1.082
local terms energy: -455.841714
where:
bonds (distance) C4'-P energy: -79.182
bonds (distance) P-C4' energy: -97.284
flat angles C4'-P-C4' energy: -95.341
flat angles P-C4'-P energy: -66.120
tors. eta vs tors. theta energy: -117.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -1444.458989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.458989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.458989 (E_RNA)
where:
Base-Base interactions energy: -1009.451
where: short stacking energy: -421.207
Base-Backbone interact. energy: 1.273
local terms energy: -436.280467
where:
bonds (distance) C4'-P energy: -78.034
bonds (distance) P-C4' energy: -76.709
flat angles C4'-P-C4' energy: -96.013
flat angles P-C4'-P energy: -73.489
tors. eta vs tors. theta energy: -112.035
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: 5
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -1340.815338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.815338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.815338 (E_RNA)
where:
Base-Base interactions energy: -909.485
where: short stacking energy: -363.669
Base-Backbone interact. energy: 2.983
local terms energy: -434.313369
where:
bonds (distance) C4'-P energy: -100.456
bonds (distance) P-C4' energy: -93.012
flat angles C4'-P-C4' energy: -88.292
flat angles P-C4'-P energy: -64.572
tors. eta vs tors. theta energy: -87.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -1128.653869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.653869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.653869 (E_RNA)
where:
Base-Base interactions energy: -726.578
where: short stacking energy: -317.751
Base-Backbone interact. energy: -2.902
local terms energy: -399.174410
where:
bonds (distance) C4'-P energy: -89.554
bonds (distance) P-C4' energy: -97.337
flat angles C4'-P-C4' energy: -90.678
flat angles P-C4'-P energy: -55.562
tors. eta vs tors. theta energy: -66.043
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: 10, replica: 10
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -1098.136359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.136359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.136359 (E_RNA)
where:
Base-Base interactions energy: -742.079
where: short stacking energy: -318.963
Base-Backbone interact. energy: -0.517
local terms energy: -355.539661
where:
bonds (distance) C4'-P energy: -82.127
bonds (distance) P-C4' energy: -69.522
flat angles C4'-P-C4' energy: -75.648
flat angles P-C4'-P energy: -61.077
tors. eta vs tors. theta energy: -67.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -1940.974158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.974158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.974158 (E_RNA)
where:
Base-Base interactions energy: -1390.523
where: short stacking energy: -552.546
Base-Backbone interact. energy: -1.756
local terms energy: -548.694385
where:
bonds (distance) C4'-P energy: -98.325
bonds (distance) P-C4' energy: -105.873
flat angles C4'-P-C4' energy: -110.110
flat angles P-C4'-P energy: -83.632
tors. eta vs tors. theta energy: -150.754
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: 2, replica: 1
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -1883.441493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.441493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.441493 (E_RNA)
where:
Base-Base interactions energy: -1335.568
where: short stacking energy: -523.145
Base-Backbone interact. energy: -3.356
local terms energy: -544.517687
where:
bonds (distance) C4'-P energy: -86.484
bonds (distance) P-C4' energy: -113.527
flat angles C4'-P-C4' energy: -121.965
flat angles P-C4'-P energy: -78.097
tors. eta vs tors. theta energy: -144.445
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: 2
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -1813.350933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.350933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.350933 (E_RNA)
where:
Base-Base interactions energy: -1291.041
where: short stacking energy: -529.706
Base-Backbone interact. energy: -1.912
local terms energy: -520.397756
where:
bonds (distance) C4'-P energy: -102.439
bonds (distance) P-C4' energy: -92.329
flat angles C4'-P-C4' energy: -120.495
flat angles P-C4'-P energy: -63.479
tors. eta vs tors. theta energy: -141.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -1716.179359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.179359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.179359 (E_RNA)
where:
Base-Base interactions energy: -1214.029
where: short stacking energy: -481.438
Base-Backbone interact. energy: -2.057
local terms energy: -500.093320
where:
bonds (distance) C4'-P energy: -113.728
bonds (distance) P-C4' energy: -92.472
flat angles C4'-P-C4' energy: -97.700
flat angles P-C4'-P energy: -73.433
tors. eta vs tors. theta energy: -122.760
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: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -1592.409148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1592.409148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1592.409148 (E_RNA)
where:
Base-Base interactions energy: -1133.377
where: short stacking energy: -462.939
Base-Backbone interact. energy: 3.791
local terms energy: -462.822675
where:
bonds (distance) C4'-P energy: -87.551
bonds (distance) P-C4' energy: -88.905
flat angles C4'-P-C4' energy: -104.817
flat angles P-C4'-P energy: -62.124
tors. eta vs tors. theta energy: -119.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -1480.336199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.336199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.336199 (E_RNA)
where:
Base-Base interactions energy: -1006.913
where: short stacking energy: -412.241
Base-Backbone interact. energy: -1.522
local terms energy: -471.901185
where:
bonds (distance) C4'-P energy: -96.036
bonds (distance) P-C4' energy: -96.573
flat angles C4'-P-C4' energy: -104.163
flat angles P-C4'-P energy: -74.816
tors. eta vs tors. theta energy: -100.313
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: 7
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -1445.498025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.498025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.498025 (E_RNA)
where:
Base-Base interactions energy: -1001.100
where: short stacking energy: -398.255
Base-Backbone interact. energy: -0.505
local terms energy: -443.892736
where:
bonds (distance) C4'-P energy: -75.774
bonds (distance) P-C4' energy: -100.042
flat angles C4'-P-C4' energy: -94.480
flat angles P-C4'-P energy: -66.500
tors. eta vs tors. theta energy: -107.096
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: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -1287.230316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.230316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.230316 (E_RNA)
where:
Base-Base interactions energy: -887.769
where: short stacking energy: -366.180
Base-Backbone interact. energy: -0.279
local terms energy: -399.182511
where:
bonds (distance) C4'-P energy: -88.362
bonds (distance) P-C4' energy: -71.907
flat angles C4'-P-C4' energy: -106.036
flat angles P-C4'-P energy: -55.212
tors. eta vs tors. theta energy: -77.666
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: 6
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -1119.133080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.133080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.133080 (E_RNA)
where:
Base-Base interactions energy: -753.632
where: short stacking energy: -329.108
Base-Backbone interact. energy: -3.965
local terms energy: -361.536050
where:
bonds (distance) C4'-P energy: -93.213
bonds (distance) P-C4' energy: -89.309
flat angles C4'-P-C4' energy: -57.801
flat angles P-C4'-P energy: -51.173
tors. eta vs tors. theta energy: -70.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -1001.949035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1001.949035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1001.949035 (E_RNA)
where:
Base-Base interactions energy: -642.162
where: short stacking energy: -279.938
Base-Backbone interact. energy: -0.877
local terms energy: -358.909451
where:
bonds (distance) C4'-P energy: -79.661
bonds (distance) P-C4' energy: -86.541
flat angles C4'-P-C4' energy: -94.751
flat angles P-C4'-P energy: -51.749
tors. eta vs tors. theta energy: -46.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -1950.486438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.486438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.486438 (E_RNA)
where:
Base-Base interactions energy: -1375.215
where: short stacking energy: -564.718
Base-Backbone interact. energy: -0.653
local terms energy: -574.618431
where:
bonds (distance) C4'-P energy: -101.170
bonds (distance) P-C4' energy: -95.211
flat angles C4'-P-C4' energy: -130.182
flat angles P-C4'-P energy: -88.933
tors. eta vs tors. theta energy: -159.123
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: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -1880.654251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.654251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.654251 (E_RNA)
where:
Base-Base interactions energy: -1342.408
where: short stacking energy: -544.991
Base-Backbone interact. energy: -0.914
local terms energy: -537.332242
where:
bonds (distance) C4'-P energy: -94.905
bonds (distance) P-C4' energy: -104.014
flat angles C4'-P-C4' energy: -116.168
flat angles P-C4'-P energy: -71.960
tors. eta vs tors. theta energy: -150.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -1806.489093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.489093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.489093 (E_RNA)
where:
Base-Base interactions energy: -1282.655
where: short stacking energy: -523.294
Base-Backbone interact. energy: 5.382
local terms energy: -529.216603
where:
bonds (distance) C4'-P energy: -99.844
bonds (distance) P-C4' energy: -101.020
flat angles C4'-P-C4' energy: -102.475
flat angles P-C4'-P energy: -82.838
tors. eta vs tors. theta energy: -143.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -1677.794154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.794154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.794154 (E_RNA)
where:
Base-Base interactions energy: -1187.724
where: short stacking energy: -491.743
Base-Backbone interact. energy: -0.505
local terms energy: -489.565467
where:
bonds (distance) C4'-P energy: -92.013
bonds (distance) P-C4' energy: -92.696
flat angles C4'-P-C4' energy: -113.461
flat angles P-C4'-P energy: -61.925
tors. eta vs tors. theta energy: -129.471
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: 9
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -1561.989511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.989511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.989511 (E_RNA)
where:
Base-Base interactions energy: -1079.534
where: short stacking energy: -471.578
Base-Backbone interact. energy: -0.903
local terms energy: -481.552254
where:
bonds (distance) C4'-P energy: -97.609
bonds (distance) P-C4' energy: -96.839
flat angles C4'-P-C4' energy: -99.194
flat angles P-C4'-P energy: -68.440
tors. eta vs tors. theta energy: -119.469
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: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -1523.853834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.853834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.853834 (E_RNA)
where:
Base-Base interactions energy: -1076.868
where: short stacking energy: -432.097
Base-Backbone interact. energy: 1.979
local terms energy: -448.964844
where:
bonds (distance) C4'-P energy: -79.444
bonds (distance) P-C4' energy: -84.896
flat angles C4'-P-C4' energy: -104.900
flat angles P-C4'-P energy: -68.211
tors. eta vs tors. theta energy: -111.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -1411.334021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.334021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.334021 (E_RNA)
where:
Base-Base interactions energy: -983.332
where: short stacking energy: -404.983
Base-Backbone interact. energy: -1.048
local terms energy: -426.953180
where:
bonds (distance) C4'-P energy: -76.463
bonds (distance) P-C4' energy: -86.552
flat angles C4'-P-C4' energy: -96.160
flat angles P-C4'-P energy: -70.245
tors. eta vs tors. theta energy: -97.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -1304.835247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.835247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.835247 (E_RNA)
where:
Base-Base interactions energy: -954.938
where: short stacking energy: -385.479
Base-Backbone interact. energy: -2.133
local terms energy: -347.764523
where:
bonds (distance) C4'-P energy: -79.052
bonds (distance) P-C4' energy: -77.435
flat angles C4'-P-C4' energy: -91.738
flat angles P-C4'-P energy: -25.854
tors. eta vs tors. theta energy: -73.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -1140.341825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.341825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.341825 (E_RNA)
where:
Base-Base interactions energy: -748.400
where: short stacking energy: -322.600
Base-Backbone interact. energy: -2.543
local terms energy: -389.398164
where:
bonds (distance) C4'-P energy: -87.330
bonds (distance) P-C4' energy: -94.527
flat angles C4'-P-C4' energy: -96.492
flat angles P-C4'-P energy: -49.466
tors. eta vs tors. theta energy: -61.583
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: 10, replica: 10
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -993.691414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.691414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.691414 (E_RNA)
where:
Base-Base interactions energy: -672.739
where: short stacking energy: -278.550
Base-Backbone interact. energy: -0.034
local terms energy: -320.918544
where:
bonds (distance) C4'-P energy: -60.844
bonds (distance) P-C4' energy: -92.911
flat angles C4'-P-C4' energy: -82.986
flat angles P-C4'-P energy: -37.039
tors. eta vs tors. theta energy: -47.139
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: 4
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -1965.897079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.897079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.897079 (E_RNA)
where:
Base-Base interactions energy: -1392.425
where: short stacking energy: -563.772
Base-Backbone interact. energy: -1.875
local terms energy: -571.597762
where:
bonds (distance) C4'-P energy: -95.834
bonds (distance) P-C4' energy: -112.155
flat angles C4'-P-C4' energy: -122.652
flat angles P-C4'-P energy: -81.271
tors. eta vs tors. theta energy: -159.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -1896.949830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.949830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.949830 (E_RNA)
where:
Base-Base interactions energy: -1354.983
where: short stacking energy: -559.077
Base-Backbone interact. energy: -2.272
local terms energy: -539.695031
where:
bonds (distance) C4'-P energy: -104.458
bonds (distance) P-C4' energy: -95.030
flat angles C4'-P-C4' energy: -109.652
flat angles P-C4'-P energy: -80.558
tors. eta vs tors. theta energy: -149.998
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: 127
Temperature: 1.000000
Total energy: -1805.658843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.658843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.658843 (E_RNA)
where:
Base-Base interactions energy: -1288.421
where: short stacking energy: -519.276
Base-Backbone interact. energy: 5.562
local terms energy: -522.800353
where:
bonds (distance) C4'-P energy: -84.839
bonds (distance) P-C4' energy: -104.141
flat angles C4'-P-C4' energy: -128.800
flat angles P-C4'-P energy: -70.784
tors. eta vs tors. theta energy: -134.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -1691.402081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.402081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.402081 (E_RNA)
where:
Base-Base interactions energy: -1164.175
where: short stacking energy: -479.309
Base-Backbone interact. energy: -1.329
local terms energy: -525.897759
where:
bonds (distance) C4'-P energy: -91.545
bonds (distance) P-C4' energy: -102.068
flat angles C4'-P-C4' energy: -119.972
flat angles P-C4'-P energy: -83.072
tors. eta vs tors. theta energy: -129.242
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: 9
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -1598.684446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1598.684446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1598.684446 (E_RNA)
where:
Base-Base interactions energy: -1131.290
where: short stacking energy: -477.467
Base-Backbone interact. energy: -0.282
local terms energy: -467.111821
where:
bonds (distance) C4'-P energy: -92.444
bonds (distance) P-C4' energy: -77.526
flat angles C4'-P-C4' energy: -117.697
flat angles P-C4'-P energy: -56.787
tors. eta vs tors. theta energy: -122.657
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: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -1531.415493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.415493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.415493 (E_RNA)
where:
Base-Base interactions energy: -1083.087
where: short stacking energy: -421.061
Base-Backbone interact. energy: -2.158
local terms energy: -446.170175
where:
bonds (distance) C4'-P energy: -75.915
bonds (distance) P-C4' energy: -103.008
flat angles C4'-P-C4' energy: -101.671
flat angles P-C4'-P energy: -61.372
tors. eta vs tors. theta energy: -104.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -1386.835412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.835412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.835412 (E_RNA)
where:
Base-Base interactions energy: -949.061
where: short stacking energy: -394.236
Base-Backbone interact. energy: 0.883
local terms energy: -438.658127
where:
bonds (distance) C4'-P energy: -109.518
bonds (distance) P-C4' energy: -88.821
flat angles C4'-P-C4' energy: -92.051
flat angles P-C4'-P energy: -53.678
tors. eta vs tors. theta energy: -94.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -1342.654188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.654188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.654188 (E_RNA)
where:
Base-Base interactions energy: -944.090
where: short stacking energy: -403.209
Base-Backbone interact. energy: 0.364
local terms energy: -398.928541
where:
bonds (distance) C4'-P energy: -74.647
bonds (distance) P-C4' energy: -94.211
flat angles C4'-P-C4' energy: -92.914
flat angles P-C4'-P energy: -54.814
tors. eta vs tors. theta energy: -82.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -1071.727497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.727497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.727497 (E_RNA)
where:
Base-Base interactions energy: -718.337
where: short stacking energy: -306.161
Base-Backbone interact. energy: 0.547
local terms energy: -353.937400
where:
bonds (distance) C4'-P energy: -68.671
bonds (distance) P-C4' energy: -95.635
flat angles C4'-P-C4' energy: -88.786
flat angles P-C4'-P energy: -40.370
tors. eta vs tors. theta energy: -60.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -979.376537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -979.376537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -979.376537 (E_RNA)
where:
Base-Base interactions energy: -629.120
where: short stacking energy: -275.092
Base-Backbone interact. energy: -1.173
local terms energy: -349.082687
where:
bonds (distance) C4'-P energy: -85.521
bonds (distance) P-C4' energy: -97.963
flat angles C4'-P-C4' energy: -90.687
flat angles P-C4'-P energy: -32.774
tors. eta vs tors. theta energy: -42.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -1940.657684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.657684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.657684 (E_RNA)
where:
Base-Base interactions energy: -1372.592
where: short stacking energy: -552.114
Base-Backbone interact. energy: -3.942
local terms energy: -564.123732
where:
bonds (distance) C4'-P energy: -108.818
bonds (distance) P-C4' energy: -109.736
flat angles C4'-P-C4' energy: -120.656
flat angles P-C4'-P energy: -76.855
tors. eta vs tors. theta energy: -148.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -1892.098717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.098717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.098717 (E_RNA)
where:
Base-Base interactions energy: -1338.166
where: short stacking energy: -542.057
Base-Backbone interact. energy: -3.408
local terms energy: -550.524852
where:
bonds (distance) C4'-P energy: -101.805
bonds (distance) P-C4' energy: -103.729
flat angles C4'-P-C4' energy: -115.254
flat angles P-C4'-P energy: -75.892
tors. eta vs tors. theta energy: -153.845
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: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -1810.397433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.397433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.397433 (E_RNA)
where:
Base-Base interactions energy: -1287.806
where: short stacking energy: -518.040
Base-Backbone interact. energy: -3.619
local terms energy: -518.972001
where:
bonds (distance) C4'-P energy: -90.675
bonds (distance) P-C4' energy: -103.573
flat angles C4'-P-C4' energy: -109.499
flat angles P-C4'-P energy: -75.858
tors. eta vs tors. theta energy: -139.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -1689.314930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.314930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.314930 (E_RNA)
where:
Base-Base interactions energy: -1199.530
where: short stacking energy: -466.723
Base-Backbone interact. energy: -1.818
local terms energy: -487.967289
where:
bonds (distance) C4'-P energy: -94.613
bonds (distance) P-C4' energy: -99.238
flat angles C4'-P-C4' energy: -106.510
flat angles P-C4'-P energy: -62.013
tors. eta vs tors. theta energy: -125.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -1528.279135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.279135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.279135 (E_RNA)
where:
Base-Base interactions energy: -1054.476
where: short stacking energy: -445.554
Base-Backbone interact. energy: -1.897
local terms energy: -471.906579
where:
bonds (distance) C4'-P energy: -101.400
bonds (distance) P-C4' energy: -101.382
flat angles C4'-P-C4' energy: -97.563
flat angles P-C4'-P energy: -58.866
tors. eta vs tors. theta energy: -112.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -1560.776377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.776377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.776377 (E_RNA)
where:
Base-Base interactions energy: -1115.376
where: short stacking energy: -451.318
Base-Backbone interact. energy: -2.726
local terms energy: -442.673900
where:
bonds (distance) C4'-P energy: -79.669
bonds (distance) P-C4' energy: -90.283
flat angles C4'-P-C4' energy: -93.531
flat angles P-C4'-P energy: -63.141
tors. eta vs tors. theta energy: -116.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -1428.716031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.716031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.716031 (E_RNA)
where:
Base-Base interactions energy: -1013.156
where: short stacking energy: -419.435
Base-Backbone interact. energy: -2.768
local terms energy: -412.791464
where:
bonds (distance) C4'-P energy: -85.019
bonds (distance) P-C4' energy: -87.165
flat angles C4'-P-C4' energy: -89.666
flat angles P-C4'-P energy: -60.865
tors. eta vs tors. theta energy: -90.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -1394.352673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.352673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.352673 (E_RNA)
where:
Base-Base interactions energy: -982.665
where: short stacking energy: -392.668
Base-Backbone interact. energy: -3.275
local terms energy: -408.412880
where:
bonds (distance) C4'-P energy: -79.598
bonds (distance) P-C4' energy: -82.987
flat angles C4'-P-C4' energy: -86.069
flat angles P-C4'-P energy: -67.599
tors. eta vs tors. theta energy: -92.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -1099.846500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.846500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.846500 (E_RNA)
where:
Base-Base interactions energy: -714.465
where: short stacking energy: -316.753
Base-Backbone interact. energy: -2.024
local terms energy: -383.357099
where:
bonds (distance) C4'-P energy: -86.073
bonds (distance) P-C4' energy: -75.788
flat angles C4'-P-C4' energy: -97.398
flat angles P-C4'-P energy: -59.124
tors. eta vs tors. theta energy: -64.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -956.314592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -956.314592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -956.314592 (E_RNA)
where:
Base-Base interactions energy: -618.968
where: short stacking energy: -287.519
Base-Backbone interact. energy: 0.695
local terms energy: -338.041713
where:
bonds (distance) C4'-P energy: -77.306
bonds (distance) P-C4' energy: -73.039
flat angles C4'-P-C4' energy: -82.304
flat angles P-C4'-P energy: -58.393
tors. eta vs tors. theta energy: -47.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -1975.769016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.769016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.769016 (E_RNA)
where:
Base-Base interactions energy: -1408.141
where: short stacking energy: -563.643
Base-Backbone interact. energy: -0.848
local terms energy: -566.780049
where:
bonds (distance) C4'-P energy: -97.137
bonds (distance) P-C4' energy: -112.020
flat angles C4'-P-C4' energy: -119.075
flat angles P-C4'-P energy: -86.465
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: 2, replica: 1
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -1906.231508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.231508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.231508 (E_RNA)
where:
Base-Base interactions energy: -1381.172
where: short stacking energy: -540.672
Base-Backbone interact. energy: 2.204
local terms energy: -527.263999
where:
bonds (distance) C4'-P energy: -90.335
bonds (distance) P-C4' energy: -97.162
flat angles C4'-P-C4' energy: -115.686
flat angles P-C4'-P energy: -73.500
tors. eta vs tors. theta energy: -150.580
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: 3, replica: 2
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -1806.268553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.268553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.268553 (E_RNA)
where:
Base-Base interactions energy: -1276.853
where: short stacking energy: -510.715
Base-Backbone interact. energy: -0.892
local terms energy: -528.523715
where:
bonds (distance) C4'-P energy: -89.332
bonds (distance) P-C4' energy: -103.101
flat angles C4'-P-C4' energy: -111.231
flat angles P-C4'-P energy: -80.551
tors. eta vs tors. theta energy: -144.309
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: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -1677.391334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.391334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.391334 (E_RNA)
where:
Base-Base interactions energy: -1171.688
where: short stacking energy: -477.830
Base-Backbone interact. energy: -1.455
local terms energy: -504.248846
where:
bonds (distance) C4'-P energy: -103.688
bonds (distance) P-C4' energy: -104.988
flat angles C4'-P-C4' energy: -105.606
flat angles P-C4'-P energy: -70.445
tors. eta vs tors. theta energy: -119.521
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: 9
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -1535.847654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.847654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.847654 (E_RNA)
where:
Base-Base interactions energy: -1080.935
where: short stacking energy: -457.457
Base-Backbone interact. energy: -2.794
local terms energy: -452.118246
where:
bonds (distance) C4'-P energy: -78.578
bonds (distance) P-C4' energy: -88.106
flat angles C4'-P-C4' energy: -105.920
flat angles P-C4'-P energy: -65.136
tors. eta vs tors. theta energy: -114.379
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: 6, replica: 8
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -1556.447484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1556.447484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1556.447484 (E_RNA)
where:
Base-Base interactions energy: -1121.308
where: short stacking energy: -437.635
Base-Backbone interact. energy: -3.606
local terms energy: -431.534088
where:
bonds (distance) C4'-P energy: -80.122
bonds (distance) P-C4' energy: -87.286
flat angles C4'-P-C4' energy: -97.408
flat angles P-C4'-P energy: -61.849
tors. eta vs tors. theta energy: -104.869
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: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -1456.433519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.433519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.433519 (E_RNA)
where:
Base-Base interactions energy: -1019.187
where: short stacking energy: -428.898
Base-Backbone interact. energy: 6.245
local terms energy: -443.491490
where:
bonds (distance) C4'-P energy: -81.176
bonds (distance) P-C4' energy: -81.833
flat angles C4'-P-C4' energy: -103.137
flat angles P-C4'-P energy: -74.318
tors. eta vs tors. theta energy: -103.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -1341.876724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.876724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.876724 (E_RNA)
where:
Base-Base interactions energy: -920.727
where: short stacking energy: -389.163
Base-Backbone interact. energy: -1.266
local terms energy: -419.884042
where:
bonds (distance) C4'-P energy: -100.296
bonds (distance) P-C4' energy: -89.476
flat angles C4'-P-C4' energy: -71.046
flat angles P-C4'-P energy: -72.102
tors. eta vs tors. theta energy: -86.965
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: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -1093.447185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.447185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.447185 (E_RNA)
where:
Base-Base interactions energy: -746.038
where: short stacking energy: -349.052
Base-Backbone interact. energy: -2.253
local terms energy: -345.156541
where:
bonds (distance) C4'-P energy: -75.346
bonds (distance) P-C4' energy: -77.257
flat angles C4'-P-C4' energy: -82.868
flat angles P-C4'-P energy: -51.398
tors. eta vs tors. theta energy: -58.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -993.994294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.994294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.994294 (E_RNA)
where:
Base-Base interactions energy: -680.551
where: short stacking energy: -298.331
Base-Backbone interact. energy: -2.129
local terms energy: -311.314371
where:
bonds (distance) C4'-P energy: -72.019
bonds (distance) P-C4' energy: -88.477
flat angles C4'-P-C4' energy: -59.299
flat angles P-C4'-P energy: -46.699
tors. eta vs tors. theta energy: -44.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -1971.064419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.064419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.064419 (E_RNA)
where:
Base-Base interactions energy: -1400.023
where: short stacking energy: -564.860
Base-Backbone interact. energy: -3.096
local terms energy: -567.945019
where:
bonds (distance) C4'-P energy: -99.278
bonds (distance) P-C4' energy: -106.551
flat angles C4'-P-C4' energy: -120.028
flat angles P-C4'-P energy: -86.876
tors. eta vs tors. theta energy: -155.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -1909.355926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.355926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.355926 (E_RNA)
where:
Base-Base interactions energy: -1375.642
where: short stacking energy: -531.714
Base-Backbone interact. energy: -2.950
local terms energy: -530.764207
where:
bonds (distance) C4'-P energy: -99.731
bonds (distance) P-C4' energy: -105.875
flat angles C4'-P-C4' energy: -109.382
flat angles P-C4'-P energy: -73.037
tors. eta vs tors. theta energy: -142.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -1797.776149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.776149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.776149 (E_RNA)
where:
Base-Base interactions energy: -1281.413
where: short stacking energy: -512.137
Base-Backbone interact. energy: 0.141
local terms energy: -516.504166
where:
bonds (distance) C4'-P energy: -96.426
bonds (distance) P-C4' energy: -87.655
flat angles C4'-P-C4' energy: -114.522
flat angles P-C4'-P energy: -81.405
tors. eta vs tors. theta energy: -136.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -1702.166686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.166686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.166686 (E_RNA)
where:
Base-Base interactions energy: -1228.858
where: short stacking energy: -496.570
Base-Backbone interact. energy: -3.244
local terms energy: -470.064238
where:
bonds (distance) C4'-P energy: -90.203
bonds (distance) P-C4' energy: -87.337
flat angles C4'-P-C4' energy: -102.867
flat angles P-C4'-P energy: -62.701
tors. eta vs tors. theta energy: -126.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -1591.639578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.639578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.639578 (E_RNA)
where:
Base-Base interactions energy: -1118.570
where: short stacking energy: -444.542
Base-Backbone interact. energy: 8.015
local terms energy: -481.084398
where:
bonds (distance) C4'-P energy: -103.885
bonds (distance) P-C4' energy: -99.577
flat angles C4'-P-C4' energy: -109.596
flat angles P-C4'-P energy: -59.291
tors. eta vs tors. theta energy: -108.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -1504.015201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.015201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.015201 (E_RNA)
where:
Base-Base interactions energy: -1038.634
where: short stacking energy: -443.890
Base-Backbone interact. energy: 0.395
local terms energy: -465.776160
where:
bonds (distance) C4'-P energy: -92.009
bonds (distance) P-C4' energy: -84.537
flat angles C4'-P-C4' energy: -105.423
flat angles P-C4'-P energy: -74.321
tors. eta vs tors. theta energy: -109.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -1431.964259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.964259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.964259 (E_RNA)
where:
Base-Base interactions energy: -1012.196
where: short stacking energy: -414.277
Base-Backbone interact. energy: -3.194
local terms energy: -416.574251
where:
bonds (distance) C4'-P energy: -71.195
bonds (distance) P-C4' energy: -99.323
flat angles C4'-P-C4' energy: -101.101
flat angles P-C4'-P energy: -56.211
tors. eta vs tors. theta energy: -88.744
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: 130
Temperature: 1.250000
Total energy: -1351.012450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.012450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.012450 (E_RNA)
where:
Base-Base interactions energy: -937.094
where: short stacking energy: -383.218
Base-Backbone interact. energy: 5.645
local terms energy: -419.563264
where:
bonds (distance) C4'-P energy: -78.289
bonds (distance) P-C4' energy: -83.005
flat angles C4'-P-C4' energy: -94.135
flat angles P-C4'-P energy: -66.273
tors. eta vs tors. theta energy: -97.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -1073.439525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.439525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.439525 (E_RNA)
where:
Base-Base interactions energy: -698.538
where: short stacking energy: -308.090
Base-Backbone interact. energy: 0.703
local terms energy: -375.604579
where:
bonds (distance) C4'-P energy: -83.892
bonds (distance) P-C4' energy: -91.953
flat angles C4'-P-C4' energy: -96.824
flat angles P-C4'-P energy: -32.651
tors. eta vs tors. theta energy: -70.285
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: 10, replica: 10
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -1031.891296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.891296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.891296 (E_RNA)
where:
Base-Base interactions energy: -671.104
where: short stacking energy: -284.870
Base-Backbone interact. energy: 0.739
local terms energy: -361.526392
where:
bonds (distance) C4'-P energy: -86.931
bonds (distance) P-C4' energy: -79.831
flat angles C4'-P-C4' energy: -81.467
flat angles P-C4'-P energy: -62.220
tors. eta vs tors. theta energy: -51.078
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: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -1948.673013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.673013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.673013 (E_RNA)
where:
Base-Base interactions energy: -1381.253
where: short stacking energy: -550.470
Base-Backbone interact. energy: -2.648
local terms energy: -564.771483
where:
bonds (distance) C4'-P energy: -104.217
bonds (distance) P-C4' energy: -104.744
flat angles C4'-P-C4' energy: -118.174
flat angles P-C4'-P energy: -82.246
tors. eta vs tors. theta energy: -155.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -1897.453778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.453778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.453778 (E_RNA)
where:
Base-Base interactions energy: -1346.455
where: short stacking energy: -523.581
Base-Backbone interact. energy: 5.714
local terms energy: -556.712572
where:
bonds (distance) C4'-P energy: -103.280
bonds (distance) P-C4' energy: -101.487
flat angles C4'-P-C4' energy: -119.796
flat angles P-C4'-P energy: -79.755
tors. eta vs tors. theta energy: -152.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -1816.014302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.014302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.014302 (E_RNA)
where:
Base-Base interactions energy: -1304.327
where: short stacking energy: -513.341
Base-Backbone interact. energy: -2.619
local terms energy: -509.067741
where:
bonds (distance) C4'-P energy: -90.612
bonds (distance) P-C4' energy: -112.496
flat angles C4'-P-C4' energy: -102.691
flat angles P-C4'-P energy: -73.206
tors. eta vs tors. theta energy: -130.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -1707.248757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.248757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.248757 (E_RNA)
where:
Base-Base interactions energy: -1203.777
where: short stacking energy: -483.281
Base-Backbone interact. energy: 0.434
local terms energy: -503.905092
where:
bonds (distance) C4'-P energy: -103.257
bonds (distance) P-C4' energy: -93.446
flat angles C4'-P-C4' energy: -103.637
flat angles P-C4'-P energy: -76.491
tors. eta vs tors. theta energy: -127.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -1614.718396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.718396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.718396 (E_RNA)
where:
Base-Base interactions energy: -1108.047
where: short stacking energy: -453.420
Base-Backbone interact. energy: -0.143
local terms energy: -506.527881
where:
bonds (distance) C4'-P energy: -103.979
bonds (distance) P-C4' energy: -100.653
flat angles C4'-P-C4' energy: -110.147
flat angles P-C4'-P energy: -67.243
tors. eta vs tors. theta energy: -124.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -1520.781338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.781338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.781338 (E_RNA)
where:
Base-Base interactions energy: -1081.002
where: short stacking energy: -450.461
Base-Backbone interact. energy: 1.577
local terms energy: -441.356750
where:
bonds (distance) C4'-P energy: -62.635
bonds (distance) P-C4' energy: -90.129
flat angles C4'-P-C4' energy: -108.771
flat angles P-C4'-P energy: -57.401
tors. eta vs tors. theta energy: -122.421
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: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -1397.721858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.721858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.721858 (E_RNA)
where:
Base-Base interactions energy: -966.024
where: short stacking energy: -385.417
Base-Backbone interact. energy: -0.914
local terms energy: -430.783950
where:
bonds (distance) C4'-P energy: -94.013
bonds (distance) P-C4' energy: -92.053
flat angles C4'-P-C4' energy: -96.322
flat angles P-C4'-P energy: -63.144
tors. eta vs tors. theta energy: -85.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -1365.294968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.294968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.294968 (E_RNA)
where:
Base-Base interactions energy: -940.239
where: short stacking energy: -391.148
Base-Backbone interact. energy: 2.477
local terms energy: -427.533008
where:
bonds (distance) C4'-P energy: -79.171
bonds (distance) P-C4' energy: -91.621
flat angles C4'-P-C4' energy: -92.821
flat angles P-C4'-P energy: -66.608
tors. eta vs tors. theta energy: -97.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -1071.729275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1071.729275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1071.729275 (E_RNA)
where:
Base-Base interactions energy: -698.952
where: short stacking energy: -317.238
Base-Backbone interact. energy: 0.050
local terms energy: -372.827116
where:
bonds (distance) C4'-P energy: -74.491
bonds (distance) P-C4' energy: -91.732
flat angles C4'-P-C4' energy: -76.496
flat angles P-C4'-P energy: -46.251
tors. eta vs tors. theta energy: -83.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -1011.325564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1011.325564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1011.325564 (E_RNA)
where:
Base-Base interactions energy: -646.924
where: short stacking energy: -287.808
Base-Backbone interact. energy: -1.918
local terms energy: -362.484519
where:
bonds (distance) C4'-P energy: -92.524
bonds (distance) P-C4' energy: -91.275
flat angles C4'-P-C4' energy: -78.781
flat angles P-C4'-P energy: -47.639
tors. eta vs tors. theta energy: -52.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -1944.094894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.094894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.094894 (E_RNA)
where:
Base-Base interactions energy: -1373.680
where: short stacking energy: -556.499
Base-Backbone interact. energy: -3.072
local terms energy: -567.343501
where:
bonds (distance) C4'-P energy: -110.484
bonds (distance) P-C4' energy: -98.150
flat angles C4'-P-C4' energy: -120.972
flat angles P-C4'-P energy: -81.724
tors. eta vs tors. theta energy: -156.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -1882.405696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.405696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.405696 (E_RNA)
where:
Base-Base interactions energy: -1334.643
where: short stacking energy: -535.237
Base-Backbone interact. energy: 0.035
local terms energy: -547.798438
where:
bonds (distance) C4'-P energy: -111.568
bonds (distance) P-C4' energy: -98.950
flat angles C4'-P-C4' energy: -100.397
flat angles P-C4'-P energy: -89.184
tors. eta vs tors. theta energy: -147.700
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: 132
Temperature: 1.000000
Total energy: -1807.805981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.805981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.805981 (E_RNA)
where:
Base-Base interactions energy: -1307.674
where: short stacking energy: -527.117
Base-Backbone interact. energy: -2.192
local terms energy: -497.939440
where:
bonds (distance) C4'-P energy: -72.292
bonds (distance) P-C4' energy: -93.485
flat angles C4'-P-C4' energy: -113.485
flat angles P-C4'-P energy: -80.458
tors. eta vs tors. theta energy: -138.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -1739.787503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.787503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.787503 (E_RNA)
where:
Base-Base interactions energy: -1233.197
where: short stacking energy: -496.958
Base-Backbone interact. energy: -0.985
local terms energy: -505.606017
where:
bonds (distance) C4'-P energy: -85.995
bonds (distance) P-C4' energy: -97.320
flat angles C4'-P-C4' energy: -106.088
flat angles P-C4'-P energy: -82.089
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: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -1642.717966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.717966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.717966 (E_RNA)
where:
Base-Base interactions energy: -1178.786
where: short stacking energy: -494.411
Base-Backbone interact. energy: -3.193
local terms energy: -460.739064
where:
bonds (distance) C4'-P energy: -89.378
bonds (distance) P-C4' energy: -75.677
flat angles C4'-P-C4' energy: -102.331
flat angles P-C4'-P energy: -67.279
tors. eta vs tors. theta energy: -126.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -1483.809253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.809253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.809253 (E_RNA)
where:
Base-Base interactions energy: -1020.126
where: short stacking energy: -445.298
Base-Backbone interact. energy: 2.282
local terms energy: -465.965519
where:
bonds (distance) C4'-P energy: -78.273
bonds (distance) P-C4' energy: -90.909
flat angles C4'-P-C4' energy: -106.667
flat angles P-C4'-P energy: -68.962
tors. eta vs tors. theta energy: -121.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -1381.591682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.591682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.591682 (E_RNA)
where:
Base-Base interactions energy: -963.559
where: short stacking energy: -373.973
Base-Backbone interact. energy: -0.411
local terms energy: -417.621817
where:
bonds (distance) C4'-P energy: -91.590
bonds (distance) P-C4' energy: -92.035
flat angles C4'-P-C4' energy: -98.736
flat angles P-C4'-P energy: -57.311
tors. eta vs tors. theta energy: -77.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -1350.621210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.621210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.621210 (E_RNA)
where:
Base-Base interactions energy: -949.499
where: short stacking energy: -393.781
Base-Backbone interact. energy: -1.615
local terms energy: -399.507728
where:
bonds (distance) C4'-P energy: -70.851
bonds (distance) P-C4' energy: -80.567
flat angles C4'-P-C4' energy: -87.651
flat angles P-C4'-P energy: -57.438
tors. eta vs tors. theta energy: -103.000
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: 132
Temperature: 1.300000
Total energy: -1065.455887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.455887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.455887 (E_RNA)
where:
Base-Base interactions energy: -700.478
where: short stacking energy: -325.625
Base-Backbone interact. energy: -1.566
local terms energy: -363.411783
where:
bonds (distance) C4'-P energy: -83.861
bonds (distance) P-C4' energy: -87.099
flat angles C4'-P-C4' energy: -75.222
flat angles P-C4'-P energy: -54.781
tors. eta vs tors. theta energy: -62.449
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: 6
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -1041.429513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.429513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.429513 (E_RNA)
where:
Base-Base interactions energy: -697.434
where: short stacking energy: -293.453
Base-Backbone interact. energy: -3.967
local terms energy: -340.028193
where:
bonds (distance) C4'-P energy: -76.783
bonds (distance) P-C4' energy: -100.531
flat angles C4'-P-C4' energy: -70.163
flat angles P-C4'-P energy: -37.772
tors. eta vs tors. theta energy: -54.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -1944.570696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.570696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.570696 (E_RNA)
where:
Base-Base interactions energy: -1380.207
where: short stacking energy: -562.396
Base-Backbone interact. energy: -4.284
local terms energy: -560.079573
where:
bonds (distance) C4'-P energy: -93.586
bonds (distance) P-C4' energy: -104.735
flat angles C4'-P-C4' energy: -125.017
flat angles P-C4'-P energy: -82.067
tors. eta vs tors. theta energy: -154.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -1892.962148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.962148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.962148 (E_RNA)
where:
Base-Base interactions energy: -1359.981
where: short stacking energy: -541.575
Base-Backbone interact. energy: 1.780
local terms energy: -534.760943
where:
bonds (distance) C4'-P energy: -94.007
bonds (distance) P-C4' energy: -103.666
flat angles C4'-P-C4' energy: -116.199
flat angles P-C4'-P energy: -75.291
tors. eta vs tors. theta energy: -145.598
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: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -1787.923613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.923613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.923613 (E_RNA)
where:
Base-Base interactions energy: -1271.524
where: short stacking energy: -492.822
Base-Backbone interact. energy: -3.552
local terms energy: -512.847562
where:
bonds (distance) C4'-P energy: -98.908
bonds (distance) P-C4' energy: -106.789
flat angles C4'-P-C4' energy: -104.540
flat angles P-C4'-P energy: -75.726
tors. eta vs tors. theta energy: -126.885
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: 3
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -1762.767251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.767251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.767251 (E_RNA)
where:
Base-Base interactions energy: -1269.385
where: short stacking energy: -505.482
Base-Backbone interact. energy: -1.640
local terms energy: -491.742166
where:
bonds (distance) C4'-P energy: -92.322
bonds (distance) P-C4' energy: -87.385
flat angles C4'-P-C4' energy: -105.065
flat angles P-C4'-P energy: -66.692
tors. eta vs tors. theta energy: -140.279
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: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -1618.165121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.165121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.165121 (E_RNA)
where:
Base-Base interactions energy: -1151.551
where: short stacking energy: -478.533
Base-Backbone interact. energy: -2.667
local terms energy: -463.947401
where:
bonds (distance) C4'-P energy: -74.988
bonds (distance) P-C4' energy: -85.972
flat angles C4'-P-C4' energy: -108.555
flat angles P-C4'-P energy: -68.626
tors. eta vs tors. theta energy: -125.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -1487.144321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.144321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.144321 (E_RNA)
where:
Base-Base interactions energy: -1009.630
where: short stacking energy: -420.849
Base-Backbone interact. energy: 0.141
local terms energy: -477.656014
where:
bonds (distance) C4'-P energy: -90.698
bonds (distance) P-C4' energy: -104.148
flat angles C4'-P-C4' energy: -104.188
flat angles P-C4'-P energy: -65.022
tors. eta vs tors. theta energy: -113.599
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: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -1353.326349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.326349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.326349 (E_RNA)
where:
Base-Base interactions energy: -934.805
where: short stacking energy: -385.531
Base-Backbone interact. energy: -4.199
local terms energy: -414.323100
where:
bonds (distance) C4'-P energy: -89.453
bonds (distance) P-C4' energy: -85.529
flat angles C4'-P-C4' energy: -102.824
flat angles P-C4'-P energy: -44.860
tors. eta vs tors. theta energy: -91.658
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: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -1278.260874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.260874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.260874 (E_RNA)
where:
Base-Base interactions energy: -889.191
where: short stacking energy: -343.356
Base-Backbone interact. energy: -1.084
local terms energy: -387.985960
where:
bonds (distance) C4'-P energy: -68.343
bonds (distance) P-C4' energy: -93.069
flat angles C4'-P-C4' energy: -84.856
flat angles P-C4'-P energy: -57.370
tors. eta vs tors. theta energy: -84.348
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: 133
Temperature: 1.300000
Total energy: -1051.977054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.977054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.977054 (E_RNA)
where:
Base-Base interactions energy: -694.343
where: short stacking energy: -306.558
Base-Backbone interact. energy: -2.225
local terms energy: -355.409241
where:
bonds (distance) C4'-P energy: -72.578
bonds (distance) P-C4' energy: -84.509
flat angles C4'-P-C4' energy: -94.173
flat angles P-C4'-P energy: -54.881
tors. eta vs tors. theta energy: -49.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -1020.553335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.553335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.553335 (E_RNA)
where:
Base-Base interactions energy: -673.132
where: short stacking energy: -298.374
Base-Backbone interact. energy: -1.546
local terms energy: -345.875021
where:
bonds (distance) C4'-P energy: -81.583
bonds (distance) P-C4' energy: -80.155
flat angles C4'-P-C4' energy: -66.087
flat angles P-C4'-P energy: -53.077
tors. eta vs tors. theta energy: -64.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -1980.533365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.533365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.533365 (E_RNA)
where:
Base-Base interactions energy: -1432.756
where: short stacking energy: -573.733
Base-Backbone interact. energy: -1.010
local terms energy: -546.767371
where:
bonds (distance) C4'-P energy: -93.722
bonds (distance) P-C4' energy: -113.368
flat angles C4'-P-C4' energy: -117.664
flat angles P-C4'-P energy: -66.093
tors. eta vs tors. theta energy: -155.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -1903.266805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.266805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.266805 (E_RNA)
where:
Base-Base interactions energy: -1363.809
where: short stacking energy: -538.793
Base-Backbone interact. energy: 1.159
local terms energy: -540.617191
where:
bonds (distance) C4'-P energy: -103.701
bonds (distance) P-C4' energy: -95.965
flat angles C4'-P-C4' energy: -120.369
flat angles P-C4'-P energy: -73.933
tors. eta vs tors. theta energy: -146.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -1794.914265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.914265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.914265 (E_RNA)
where:
Base-Base interactions energy: -1267.290
where: short stacking energy: -495.686
Base-Backbone interact. energy: -1.419
local terms energy: -526.205362
where:
bonds (distance) C4'-P energy: -81.793
bonds (distance) P-C4' energy: -117.797
flat angles C4'-P-C4' energy: -109.272
flat angles P-C4'-P energy: -75.069
tors. eta vs tors. theta energy: -142.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -1698.972121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.972121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.972121 (E_RNA)
where:
Base-Base interactions energy: -1216.377
where: short stacking energy: -489.062
Base-Backbone interact. energy: 3.251
local terms energy: -485.845577
where:
bonds (distance) C4'-P energy: -100.698
bonds (distance) P-C4' energy: -83.646
flat angles C4'-P-C4' energy: -109.413
flat angles P-C4'-P energy: -72.854
tors. eta vs tors. theta energy: -119.234
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: 8
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -1623.995807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.995807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.995807 (E_RNA)
where:
Base-Base interactions energy: -1137.661
where: short stacking energy: -470.704
Base-Backbone interact. energy: -4.387
local terms energy: -481.948313
where:
bonds (distance) C4'-P energy: -85.610
bonds (distance) P-C4' energy: -103.728
flat angles C4'-P-C4' energy: -105.748
flat angles P-C4'-P energy: -67.773
tors. eta vs tors. theta energy: -119.089
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: 6, replica: 9
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -1471.812161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.812161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.812161 (E_RNA)
where:
Base-Base interactions energy: -1019.171
where: short stacking energy: -453.481
Base-Backbone interact. energy: 0.665
local terms energy: -453.306051
where:
bonds (distance) C4'-P energy: -87.171
bonds (distance) P-C4' energy: -98.924
flat angles C4'-P-C4' energy: -95.531
flat angles P-C4'-P energy: -60.824
tors. eta vs tors. theta energy: -110.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -1430.179406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.179406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.179406 (E_RNA)
where:
Base-Base interactions energy: -971.692
where: short stacking energy: -405.009
Base-Backbone interact. energy: -1.943
local terms energy: -456.544287
where:
bonds (distance) C4'-P energy: -100.830
bonds (distance) P-C4' energy: -90.766
flat angles C4'-P-C4' energy: -107.289
flat angles P-C4'-P energy: -66.367
tors. eta vs tors. theta energy: -91.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -1308.654310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.654310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.654310 (E_RNA)
where:
Base-Base interactions energy: -893.036
where: short stacking energy: -386.718
Base-Backbone interact. energy: -0.482
local terms energy: -415.136191
where:
bonds (distance) C4'-P energy: -85.893
bonds (distance) P-C4' energy: -94.726
flat angles C4'-P-C4' energy: -94.205
flat angles P-C4'-P energy: -50.095
tors. eta vs tors. theta energy: -90.217
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: 10
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -1133.467579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.467579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.467579 (E_RNA)
where:
Base-Base interactions energy: -780.481
where: short stacking energy: -338.390
Base-Backbone interact. energy: -1.321
local terms energy: -351.666490
where:
bonds (distance) C4'-P energy: -66.664
bonds (distance) P-C4' energy: -74.625
flat angles C4'-P-C4' energy: -89.609
flat angles P-C4'-P energy: -54.723
tors. eta vs tors. theta energy: -66.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -989.212651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.212651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.212651 (E_RNA)
where:
Base-Base interactions energy: -642.648
where: short stacking energy: -284.544
Base-Backbone interact. energy: -1.296
local terms energy: -345.268749
where:
bonds (distance) C4'-P energy: -71.225
bonds (distance) P-C4' energy: -83.720
flat angles C4'-P-C4' energy: -81.386
flat angles P-C4'-P energy: -66.413
tors. eta vs tors. theta energy: -42.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -1973.475042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.475042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.475042 (E_RNA)
where:
Base-Base interactions energy: -1404.156
where: short stacking energy: -573.393
Base-Backbone interact. energy: 0.901
local terms energy: -570.220088
where:
bonds (distance) C4'-P energy: -99.193
bonds (distance) P-C4' energy: -110.409
flat angles C4'-P-C4' energy: -123.007
flat angles P-C4'-P energy: -74.314
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: 2, replica: 1
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -1913.016808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.016808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.016808 (E_RNA)
where:
Base-Base interactions energy: -1357.578
where: short stacking energy: -547.796
Base-Backbone interact. energy: -2.283
local terms energy: -553.156297
where:
bonds (distance) C4'-P energy: -92.289
bonds (distance) P-C4' energy: -109.628
flat angles C4'-P-C4' energy: -116.862
flat angles P-C4'-P energy: -78.923
tors. eta vs tors. theta energy: -155.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -1826.961365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.961365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.961365 (E_RNA)
where:
Base-Base interactions energy: -1311.430
where: short stacking energy: -529.994
Base-Backbone interact. energy: -1.988
local terms energy: -513.543469
where:
bonds (distance) C4'-P energy: -93.363
bonds (distance) P-C4' energy: -91.369
flat angles C4'-P-C4' energy: -113.085
flat angles P-C4'-P energy: -68.021
tors. eta vs tors. theta energy: -147.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -1694.499035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.499035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.499035 (E_RNA)
where:
Base-Base interactions energy: -1189.571
where: short stacking energy: -485.585
Base-Backbone interact. energy: 2.063
local terms energy: -506.991120
where:
bonds (distance) C4'-P energy: -88.305
bonds (distance) P-C4' energy: -99.240
flat angles C4'-P-C4' energy: -111.599
flat angles P-C4'-P energy: -78.612
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: 5, replica: 8
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -1613.926240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.926240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.926240 (E_RNA)
where:
Base-Base interactions energy: -1145.711
where: short stacking energy: -477.205
Base-Backbone interact. energy: -5.339
local terms energy: -462.876507
where:
bonds (distance) C4'-P energy: -86.388
bonds (distance) P-C4' energy: -89.471
flat angles C4'-P-C4' energy: -101.088
flat angles P-C4'-P energy: -63.103
tors. eta vs tors. theta energy: -122.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -1466.639615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.639615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.639615 (E_RNA)
where:
Base-Base interactions energy: -1008.983
where: short stacking energy: -440.837
Base-Backbone interact. energy: 1.225
local terms energy: -458.881205
where:
bonds (distance) C4'-P energy: -99.823
bonds (distance) P-C4' energy: -90.571
flat angles C4'-P-C4' energy: -97.736
flat angles P-C4'-P energy: -55.052
tors. eta vs tors. theta energy: -115.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -1411.744587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.744587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.744587 (E_RNA)
where:
Base-Base interactions energy: -983.581
where: short stacking energy: -390.829
Base-Backbone interact. energy: -1.217
local terms energy: -426.946547
where:
bonds (distance) C4'-P energy: -92.654
bonds (distance) P-C4' energy: -82.934
flat angles C4'-P-C4' energy: -91.745
flat angles P-C4'-P energy: -70.763
tors. eta vs tors. theta energy: -88.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -1274.381013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.381013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.381013 (E_RNA)
where:
Base-Base interactions energy: -878.947
where: short stacking energy: -348.075
Base-Backbone interact. energy: -1.752
local terms energy: -393.682137
where:
bonds (distance) C4'-P energy: -80.961
bonds (distance) P-C4' energy: -78.411
flat angles C4'-P-C4' energy: -103.455
flat angles P-C4'-P energy: -52.069
tors. eta vs tors. theta energy: -78.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -1132.137062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.137062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.137062 (E_RNA)
where:
Base-Base interactions energy: -764.133
where: short stacking energy: -348.717
Base-Backbone interact. energy: -0.110
local terms energy: -367.894442
where:
bonds (distance) C4'-P energy: -58.123
bonds (distance) P-C4' energy: -90.044
flat angles C4'-P-C4' energy: -95.224
flat angles P-C4'-P energy: -52.010
tors. eta vs tors. theta energy: -72.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -1028.366762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.366762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.366762 (E_RNA)
where:
Base-Base interactions energy: -671.571
where: short stacking energy: -296.128
Base-Backbone interact. energy: -3.501
local terms energy: -353.294273
where:
bonds (distance) C4'-P energy: -84.205
bonds (distance) P-C4' energy: -71.809
flat angles C4'-P-C4' energy: -82.991
flat angles P-C4'-P energy: -62.769
tors. eta vs tors. theta energy: -51.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -1969.246339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.246339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.246339 (E_RNA)
where:
Base-Base interactions energy: -1396.421
where: short stacking energy: -559.328
Base-Backbone interact. energy: -3.541
local terms energy: -569.283485
where:
bonds (distance) C4'-P energy: -110.868
bonds (distance) P-C4' energy: -112.292
flat angles C4'-P-C4' energy: -117.695
flat angles P-C4'-P energy: -76.321
tors. eta vs tors. theta energy: -152.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -1894.668323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.668323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.668323 (E_RNA)
where:
Base-Base interactions energy: -1337.698
where: short stacking energy: -546.687
Base-Backbone interact. energy: -1.097
local terms energy: -555.873483
where:
bonds (distance) C4'-P energy: -106.370
bonds (distance) P-C4' energy: -105.442
flat angles C4'-P-C4' energy: -114.593
flat angles P-C4'-P energy: -78.574
tors. eta vs tors. theta energy: -150.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -1837.152743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.152743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.152743 (E_RNA)
where:
Base-Base interactions energy: -1320.460
where: short stacking energy: -521.265
Base-Backbone interact. energy: -1.873
local terms energy: -514.820114
where:
bonds (distance) C4'-P energy: -95.187
bonds (distance) P-C4' energy: -95.372
flat angles C4'-P-C4' energy: -102.526
flat angles P-C4'-P energy: -71.954
tors. eta vs tors. theta energy: -149.781
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: 3
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -1675.740811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.740811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.740811 (E_RNA)
where:
Base-Base interactions energy: -1177.692
where: short stacking energy: -454.997
Base-Backbone interact. energy: -1.110
local terms energy: -496.938522
where:
bonds (distance) C4'-P energy: -98.642
bonds (distance) P-C4' energy: -98.957
flat angles C4'-P-C4' energy: -118.611
flat angles P-C4'-P energy: -66.710
tors. eta vs tors. theta energy: -114.019
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: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -1635.845191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.845191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.845191 (E_RNA)
where:
Base-Base interactions energy: -1158.365
where: short stacking energy: -461.517
Base-Backbone interact. energy: -3.285
local terms energy: -474.194639
where:
bonds (distance) C4'-P energy: -92.968
bonds (distance) P-C4' energy: -98.116
flat angles C4'-P-C4' energy: -101.919
flat angles P-C4'-P energy: -65.334
tors. eta vs tors. theta energy: -115.857
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: 6, replica: 9
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -1498.386610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.386610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.386610 (E_RNA)
where:
Base-Base interactions energy: -1019.180
where: short stacking energy: -431.918
Base-Backbone interact. energy: -0.794
local terms energy: -478.413427
where:
bonds (distance) C4'-P energy: -80.847
bonds (distance) P-C4' energy: -100.460
flat angles C4'-P-C4' energy: -106.226
flat angles P-C4'-P energy: -76.348
tors. eta vs tors. theta energy: -114.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -1381.087199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.087199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.087199 (E_RNA)
where:
Base-Base interactions energy: -972.605
where: short stacking energy: -363.440
Base-Backbone interact. energy: -5.542
local terms energy: -402.940646
where:
bonds (distance) C4'-P energy: -80.314
bonds (distance) P-C4' energy: -98.467
flat angles C4'-P-C4' energy: -91.264
flat angles P-C4'-P energy: -54.965
tors. eta vs tors. theta energy: -77.930
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: 7
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -1323.782203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.782203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.782203 (E_RNA)
where:
Base-Base interactions energy: -911.053
where: short stacking energy: -370.825
Base-Backbone interact. energy: -3.097
local terms energy: -409.632993
where:
bonds (distance) C4'-P energy: -97.682
bonds (distance) P-C4' energy: -89.326
flat angles C4'-P-C4' energy: -91.297
flat angles P-C4'-P energy: -41.327
tors. eta vs tors. theta energy: -90.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -1091.836340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1091.836340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1091.836340 (E_RNA)
where:
Base-Base interactions energy: -721.119
where: short stacking energy: -319.341
Base-Backbone interact. energy: -1.344
local terms energy: -369.373461
where:
bonds (distance) C4'-P energy: -89.576
bonds (distance) P-C4' energy: -92.967
flat angles C4'-P-C4' energy: -81.328
flat angles P-C4'-P energy: -54.729
tors. eta vs tors. theta energy: -50.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -1055.784259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1055.784259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1055.784259 (E_RNA)
where:
Base-Base interactions energy: -695.403
where: short stacking energy: -315.107
Base-Backbone interact. energy: 1.386
local terms energy: -361.767558
where:
bonds (distance) C4'-P energy: -67.086
bonds (distance) P-C4' energy: -93.092
flat angles C4'-P-C4' energy: -94.499
flat angles P-C4'-P energy: -40.067
tors. eta vs tors. theta energy: -67.024
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: 4
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -1957.839217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.839217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.839217 (E_RNA)
where:
Base-Base interactions energy: -1397.372
where: short stacking energy: -557.982
Base-Backbone interact. energy: -3.333
local terms energy: -557.134226
where:
bonds (distance) C4'-P energy: -96.514
bonds (distance) P-C4' energy: -107.469
flat angles C4'-P-C4' energy: -125.176
flat angles P-C4'-P energy: -75.556
tors. eta vs tors. theta energy: -152.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -1887.528275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.528275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.528275 (E_RNA)
where:
Base-Base interactions energy: -1343.261
where: short stacking energy: -519.735
Base-Backbone interact. energy: -1.494
local terms energy: -542.773271
where:
bonds (distance) C4'-P energy: -91.410
bonds (distance) P-C4' energy: -100.446
flat angles C4'-P-C4' energy: -120.524
flat angles P-C4'-P energy: -91.118
tors. eta vs tors. theta energy: -139.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -1786.800825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.800825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.800825 (E_RNA)
where:
Base-Base interactions energy: -1278.008
where: short stacking energy: -506.152
Base-Backbone interact. energy: 2.696
local terms energy: -511.488486
where:
bonds (distance) C4'-P energy: -94.325
bonds (distance) P-C4' energy: -94.614
flat angles C4'-P-C4' energy: -104.779
flat angles P-C4'-P energy: -84.238
tors. eta vs tors. theta energy: -133.532
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: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -1689.067152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.067152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.067152 (E_RNA)
where:
Base-Base interactions energy: -1183.964
where: short stacking energy: -464.271
Base-Backbone interact. energy: 1.755
local terms energy: -506.857596
where:
bonds (distance) C4'-P energy: -100.076
bonds (distance) P-C4' energy: -88.176
flat angles C4'-P-C4' energy: -117.718
flat angles P-C4'-P energy: -76.166
tors. eta vs tors. theta energy: -124.721
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: 3
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -1641.465291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.465291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.465291 (E_RNA)
where:
Base-Base interactions energy: -1148.739
where: short stacking energy: -475.944
Base-Backbone interact. energy: -4.420
local terms energy: -488.305672
where:
bonds (distance) C4'-P energy: -89.473
bonds (distance) P-C4' energy: -91.784
flat angles C4'-P-C4' energy: -112.689
flat angles P-C4'-P energy: -56.866
tors. eta vs tors. theta energy: -137.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -1460.545270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.545270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.545270 (E_RNA)
where:
Base-Base interactions energy: -1002.336
where: short stacking energy: -433.503
Base-Backbone interact. energy: 1.627
local terms energy: -459.836657
where:
bonds (distance) C4'-P energy: -80.926
bonds (distance) P-C4' energy: -98.055
flat angles C4'-P-C4' energy: -108.038
flat angles P-C4'-P energy: -62.600
tors. eta vs tors. theta energy: -110.218
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: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -1378.039168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.039168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.039168 (E_RNA)
where:
Base-Base interactions energy: -944.392
where: short stacking energy: -389.930
Base-Backbone interact. energy: -0.003
local terms energy: -433.644519
where:
bonds (distance) C4'-P energy: -78.916
bonds (distance) P-C4' energy: -84.151
flat angles C4'-P-C4' energy: -95.540
flat angles P-C4'-P energy: -77.504
tors. eta vs tors. theta energy: -97.533
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: 7
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -1333.148150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.148150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.148150 (E_RNA)
where:
Base-Base interactions energy: -933.140
where: short stacking energy: -381.680
Base-Backbone interact. energy: -2.656
local terms energy: -397.352198
where:
bonds (distance) C4'-P energy: -71.680
bonds (distance) P-C4' energy: -88.793
flat angles C4'-P-C4' energy: -80.048
flat angles P-C4'-P energy: -57.495
tors. eta vs tors. theta energy: -99.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -1031.612641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1031.612641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1031.612641 (E_RNA)
where:
Base-Base interactions energy: -672.700
where: short stacking energy: -290.656
Base-Backbone interact. energy: -1.609
local terms energy: -357.304100
where:
bonds (distance) C4'-P energy: -62.128
bonds (distance) P-C4' energy: -86.458
flat angles C4'-P-C4' energy: -83.707
flat angles P-C4'-P energy: -52.437
tors. eta vs tors. theta energy: -72.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -1053.366263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.366263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.366263 (E_RNA)
where:
Base-Base interactions energy: -700.783
where: short stacking energy: -304.089
Base-Backbone interact. energy: -2.987
local terms energy: -349.596388
where:
bonds (distance) C4'-P energy: -77.624
bonds (distance) P-C4' energy: -91.374
flat angles C4'-P-C4' energy: -81.361
flat angles P-C4'-P energy: -49.024
tors. eta vs tors. theta energy: -50.213
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: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -1965.841365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.841365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.841365 (E_RNA)
where:
Base-Base interactions energy: -1396.203
where: short stacking energy: -564.312
Base-Backbone interact. energy: -2.459
local terms energy: -567.179029
where:
bonds (distance) C4'-P energy: -96.112
bonds (distance) P-C4' energy: -112.072
flat angles C4'-P-C4' energy: -122.593
flat angles P-C4'-P energy: -82.948
tors. eta vs tors. theta energy: -153.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -1855.480564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.480564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.480564 (E_RNA)
where:
Base-Base interactions energy: -1343.269
where: short stacking energy: -520.336
Base-Backbone interact. energy: 0.636
local terms energy: -512.848374
where:
bonds (distance) C4'-P energy: -80.712
bonds (distance) P-C4' energy: -99.912
flat angles C4'-P-C4' energy: -113.920
flat angles P-C4'-P energy: -79.074
tors. eta vs tors. theta energy: -139.230
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: 3, replica: 2
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -1800.007708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.007708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.007708 (E_RNA)
where:
Base-Base interactions energy: -1270.716
where: short stacking energy: -514.396
Base-Backbone interact. energy: -0.045
local terms energy: -529.246489
where:
bonds (distance) C4'-P energy: -101.757
bonds (distance) P-C4' energy: -100.998
flat angles C4'-P-C4' energy: -113.577
flat angles P-C4'-P energy: -69.861
tors. eta vs tors. theta energy: -143.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -1679.132343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.132343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.132343 (E_RNA)
where:
Base-Base interactions energy: -1193.980
where: short stacking energy: -454.388
Base-Backbone interact. energy: -0.451
local terms energy: -484.701905
where:
bonds (distance) C4'-P energy: -86.980
bonds (distance) P-C4' energy: -103.287
flat angles C4'-P-C4' energy: -108.958
flat angles P-C4'-P energy: -63.247
tors. eta vs tors. theta energy: -122.230
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: 3
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -1668.018420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.018420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.018420 (E_RNA)
where:
Base-Base interactions energy: -1201.659
where: short stacking energy: -495.281
Base-Backbone interact. energy: 0.983
local terms energy: -467.342564
where:
bonds (distance) C4'-P energy: -87.165
bonds (distance) P-C4' energy: -98.266
flat angles C4'-P-C4' energy: -102.419
flat angles P-C4'-P energy: -59.770
tors. eta vs tors. theta energy: -119.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -1500.860410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.860410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.860410 (E_RNA)
where:
Base-Base interactions energy: -1052.663
where: short stacking energy: -464.425
Base-Backbone interact. energy: -2.691
local terms energy: -445.506100
where:
bonds (distance) C4'-P energy: -76.316
bonds (distance) P-C4' energy: -89.383
flat angles C4'-P-C4' energy: -95.332
flat angles P-C4'-P energy: -75.573
tors. eta vs tors. theta energy: -108.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -1411.186791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.186791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.186791 (E_RNA)
where:
Base-Base interactions energy: -986.524
where: short stacking energy: -400.920
Base-Backbone interact. energy: 3.761
local terms energy: -428.424118
where:
bonds (distance) C4'-P energy: -79.196
bonds (distance) P-C4' energy: -94.300
flat angles C4'-P-C4' energy: -105.966
flat angles P-C4'-P energy: -53.064
tors. eta vs tors. theta energy: -95.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -1350.666350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.666350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.666350 (E_RNA)
where:
Base-Base interactions energy: -904.907
where: short stacking energy: -388.519
Base-Backbone interact. energy: -1.449
local terms energy: -444.310380
where:
bonds (distance) C4'-P energy: -100.637
bonds (distance) P-C4' energy: -90.463
flat angles C4'-P-C4' energy: -95.371
flat angles P-C4'-P energy: -68.861
tors. eta vs tors. theta energy: -88.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -1049.333441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.333441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.333441 (E_RNA)
where:
Base-Base interactions energy: -696.575
where: short stacking energy: -302.499
Base-Backbone interact. energy: 6.575
local terms energy: -359.333681
where:
bonds (distance) C4'-P energy: -66.597
bonds (distance) P-C4' energy: -84.362
flat angles C4'-P-C4' energy: -84.432
flat angles P-C4'-P energy: -63.014
tors. eta vs tors. theta energy: -60.929
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: 10, replica: 6
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -1020.776666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.776666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.776666 (E_RNA)
where:
Base-Base interactions energy: -663.100
where: short stacking energy: -273.912
Base-Backbone interact. energy: 0.629
local terms energy: -358.305299
where:
bonds (distance) C4'-P energy: -79.167
bonds (distance) P-C4' energy: -83.085
flat angles C4'-P-C4' energy: -85.643
flat angles P-C4'-P energy: -54.282
tors. eta vs tors. theta energy: -56.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -1958.033645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.033645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.033645 (E_RNA)
where:
Base-Base interactions energy: -1393.054
where: short stacking energy: -560.678
Base-Backbone interact. energy: -4.037
local terms energy: -560.942843
where:
bonds (distance) C4'-P energy: -96.222
bonds (distance) P-C4' energy: -103.075
flat angles C4'-P-C4' energy: -127.860
flat angles P-C4'-P energy: -84.096
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: 2, replica: 1
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -1855.704197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.704197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.704197 (E_RNA)
where:
Base-Base interactions energy: -1311.612
where: short stacking energy: -515.130
Base-Backbone interact. energy: 1.244
local terms energy: -545.336290
where:
bonds (distance) C4'-P energy: -98.392
bonds (distance) P-C4' energy: -102.368
flat angles C4'-P-C4' energy: -114.054
flat angles P-C4'-P energy: -88.936
tors. eta vs tors. theta energy: -141.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -1796.588892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.588892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.588892 (E_RNA)
where:
Base-Base interactions energy: -1263.237
where: short stacking energy: -509.275
Base-Backbone interact. energy: -2.487
local terms energy: -530.864922
where:
bonds (distance) C4'-P energy: -100.168
bonds (distance) P-C4' energy: -94.488
flat angles C4'-P-C4' energy: -113.351
flat angles P-C4'-P energy: -81.683
tors. eta vs tors. theta energy: -141.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -1714.338944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.338944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.338944 (E_RNA)
where:
Base-Base interactions energy: -1218.464
where: short stacking energy: -472.565
Base-Backbone interact. energy: -0.589
local terms energy: -495.285611
where:
bonds (distance) C4'-P energy: -92.214
bonds (distance) P-C4' energy: -95.657
flat angles C4'-P-C4' energy: -112.719
flat angles P-C4'-P energy: -74.959
tors. eta vs tors. theta energy: -119.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -1624.260228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.260228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.260228 (E_RNA)
where:
Base-Base interactions energy: -1143.128
where: short stacking energy: -470.587
Base-Backbone interact. energy: 0.291
local terms energy: -481.424062
where:
bonds (distance) C4'-P energy: -87.890
bonds (distance) P-C4' energy: -93.094
flat angles C4'-P-C4' energy: -108.251
flat angles P-C4'-P energy: -66.142
tors. eta vs tors. theta energy: -126.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -1495.594492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.594492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.594492 (E_RNA)
where:
Base-Base interactions energy: -1013.277
where: short stacking energy: -441.091
Base-Backbone interact. energy: -2.106
local terms energy: -480.211031
where:
bonds (distance) C4'-P energy: -97.174
bonds (distance) P-C4' energy: -91.984
flat angles C4'-P-C4' energy: -104.117
flat angles P-C4'-P energy: -63.250
tors. eta vs tors. theta energy: -123.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -1445.566726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.566726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.566726 (E_RNA)
where:
Base-Base interactions energy: -998.633
where: short stacking energy: -421.390
Base-Backbone interact. energy: 2.773
local terms energy: -449.707110
where:
bonds (distance) C4'-P energy: -79.579
bonds (distance) P-C4' energy: -84.712
flat angles C4'-P-C4' energy: -102.758
flat angles P-C4'-P energy: -71.220
tors. eta vs tors. theta energy: -111.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -1287.584552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.584552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.584552 (E_RNA)
where:
Base-Base interactions energy: -885.629
where: short stacking energy: -362.772
Base-Backbone interact. energy: -0.550
local terms energy: -401.404921
where:
bonds (distance) C4'-P energy: -85.813
bonds (distance) P-C4' energy: -93.620
flat angles C4'-P-C4' energy: -76.544
flat angles P-C4'-P energy: -63.461
tors. eta vs tors. theta energy: -81.967
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: 9, replica: 10
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -1068.674360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.674360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.674360 (E_RNA)
where:
Base-Base interactions energy: -690.827
where: short stacking energy: -301.389
Base-Backbone interact. energy: -2.067
local terms energy: -375.780112
where:
bonds (distance) C4'-P energy: -87.500
bonds (distance) P-C4' energy: -76.867
flat angles C4'-P-C4' energy: -98.068
flat angles P-C4'-P energy: -53.034
tors. eta vs tors. theta energy: -60.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -1061.353910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.353910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.353910 (E_RNA)
where:
Base-Base interactions energy: -665.958
where: short stacking energy: -290.388
Base-Backbone interact. energy: -1.796
local terms energy: -393.599272
where:
bonds (distance) C4'-P energy: -97.891
bonds (distance) P-C4' energy: -90.991
flat angles C4'-P-C4' energy: -86.049
flat angles P-C4'-P energy: -72.672
tors. eta vs tors. theta energy: -45.996
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: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -1952.665354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.665354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.665354 (E_RNA)
where:
Base-Base interactions energy: -1417.418
where: short stacking energy: -568.410
Base-Backbone interact. energy: -4.139
local terms energy: -531.107728
where:
bonds (distance) C4'-P energy: -99.239
bonds (distance) P-C4' energy: -90.522
flat angles C4'-P-C4' energy: -119.581
flat angles P-C4'-P energy: -77.247
tors. eta vs tors. theta energy: -144.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -1904.520979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.520979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.520979 (E_RNA)
where:
Base-Base interactions energy: -1336.263
where: short stacking energy: -545.047
Base-Backbone interact. energy: -1.828
local terms energy: -566.429958
where:
bonds (distance) C4'-P energy: -109.252
bonds (distance) P-C4' energy: -106.317
flat angles C4'-P-C4' energy: -106.793
flat angles P-C4'-P energy: -89.041
tors. eta vs tors. theta energy: -155.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -1764.348354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.348354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.348354 (E_RNA)
where:
Base-Base interactions energy: -1270.640
where: short stacking energy: -511.560
Base-Backbone interact. energy: -1.409
local terms energy: -492.299198
where:
bonds (distance) C4'-P energy: -100.275
bonds (distance) P-C4' energy: -94.811
flat angles C4'-P-C4' energy: -104.141
flat angles P-C4'-P energy: -69.545
tors. eta vs tors. theta energy: -123.527
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: 8
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -1706.277815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.277815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.277815 (E_RNA)
where:
Base-Base interactions energy: -1226.076
where: short stacking energy: -497.073
Base-Backbone interact. energy: -1.105
local terms energy: -479.096939
where:
bonds (distance) C4'-P energy: -88.110
bonds (distance) P-C4' energy: -93.585
flat angles C4'-P-C4' energy: -100.433
flat angles P-C4'-P energy: -57.476
tors. eta vs tors. theta energy: -139.492
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: 3
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -1649.616076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.616076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.616076 (E_RNA)
where:
Base-Base interactions energy: -1168.712
where: short stacking energy: -465.196
Base-Backbone interact. energy: -2.556
local terms energy: -478.348108
where:
bonds (distance) C4'-P energy: -96.040
bonds (distance) P-C4' energy: -92.967
flat angles C4'-P-C4' energy: -108.804
flat angles P-C4'-P energy: -60.813
tors. eta vs tors. theta energy: -119.725
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: 6, replica: 9
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -1475.968694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.968694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.968694 (E_RNA)
where:
Base-Base interactions energy: -1023.711
where: short stacking energy: -452.306
Base-Backbone interact. energy: 1.006
local terms energy: -453.263331
where:
bonds (distance) C4'-P energy: -90.520
bonds (distance) P-C4' energy: -96.778
flat angles C4'-P-C4' energy: -101.022
flat angles P-C4'-P energy: -54.890
tors. eta vs tors. theta energy: -110.054
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: 7, replica: 7
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -1345.562695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.562695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.562695 (E_RNA)
where:
Base-Base interactions energy: -939.814
where: short stacking energy: -394.833
Base-Backbone interact. energy: -1.328
local terms energy: -404.420481
where:
bonds (distance) C4'-P energy: -85.162
bonds (distance) P-C4' energy: -69.295
flat angles C4'-P-C4' energy: -97.078
flat angles P-C4'-P energy: -73.553
tors. eta vs tors. theta energy: -79.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -1378.921275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.921275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.921275 (E_RNA)
where:
Base-Base interactions energy: -969.622
where: short stacking energy: -364.234
Base-Backbone interact. energy: -2.442
local terms energy: -406.856812
where:
bonds (distance) C4'-P energy: -82.363
bonds (distance) P-C4' energy: -89.172
flat angles C4'-P-C4' energy: -92.496
flat angles P-C4'-P energy: -57.425
tors. eta vs tors. theta energy: -85.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -1057.383605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1057.383605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1057.383605 (E_RNA)
where:
Base-Base interactions energy: -718.460
where: short stacking energy: -310.064
Base-Backbone interact. energy: -0.785
local terms energy: -338.138260
where:
bonds (distance) C4'-P energy: -70.130
bonds (distance) P-C4' energy: -63.144
flat angles C4'-P-C4' energy: -90.387
flat angles P-C4'-P energy: -54.518
tors. eta vs tors. theta energy: -59.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -998.845838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -998.845838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -998.845838 (E_RNA)
where:
Base-Base interactions energy: -660.688
where: short stacking energy: -284.481
Base-Backbone interact. energy: 0.018
local terms energy: -338.175267
where:
bonds (distance) C4'-P energy: -85.665
bonds (distance) P-C4' energy: -66.657
flat angles C4'-P-C4' energy: -85.870
flat angles P-C4'-P energy: -51.667
tors. eta vs tors. theta energy: -48.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -1975.771793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.771793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.771793 (E_RNA)
where:
Base-Base interactions energy: -1430.172
where: short stacking energy: -558.305
Base-Backbone interact. energy: 1.385
local terms energy: -546.984167
where:
bonds (distance) C4'-P energy: -111.007
bonds (distance) P-C4' energy: -95.269
flat angles C4'-P-C4' energy: -112.056
flat angles P-C4'-P energy: -79.561
tors. eta vs tors. theta energy: -149.092
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: 141
Temperature: 0.950000
Total energy: -1868.475673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.475673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.475673 (E_RNA)
where:
Base-Base interactions energy: -1327.919
where: short stacking energy: -525.868
Base-Backbone interact. energy: -1.824
local terms energy: -538.733089
where:
bonds (distance) C4'-P energy: -102.883
bonds (distance) P-C4' energy: -101.233
flat angles C4'-P-C4' energy: -114.238
flat angles P-C4'-P energy: -75.685
tors. eta vs tors. theta energy: -144.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -1823.192948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.192948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.192948 (E_RNA)
where:
Base-Base interactions energy: -1297.492
where: short stacking energy: -521.710
Base-Backbone interact. energy: -2.406
local terms energy: -523.295230
where:
bonds (distance) C4'-P energy: -98.197
bonds (distance) P-C4' energy: -96.019
flat angles C4'-P-C4' energy: -113.552
flat angles P-C4'-P energy: -68.910
tors. eta vs tors. theta energy: -146.617
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: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -1744.422143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.422143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.422143 (E_RNA)
where:
Base-Base interactions energy: -1221.051
where: short stacking energy: -519.432
Base-Backbone interact. energy: -2.576
local terms energy: -520.794738
where:
bonds (distance) C4'-P energy: -90.640
bonds (distance) P-C4' energy: -103.638
flat angles C4'-P-C4' energy: -112.051
flat angles P-C4'-P energy: -73.758
tors. eta vs tors. theta energy: -140.708
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: 3
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -1671.505946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.505946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.505946 (E_RNA)
where:
Base-Base interactions energy: -1176.005
where: short stacking energy: -495.837
Base-Backbone interact. energy: -1.884
local terms energy: -493.616885
where:
bonds (distance) C4'-P energy: -98.539
bonds (distance) P-C4' energy: -92.963
flat angles C4'-P-C4' energy: -109.113
flat angles P-C4'-P energy: -70.958
tors. eta vs tors. theta energy: -122.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -1494.421735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.421735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.421735 (E_RNA)
where:
Base-Base interactions energy: -1045.423
where: short stacking energy: -433.291
Base-Backbone interact. energy: -0.115
local terms energy: -448.883199
where:
bonds (distance) C4'-P energy: -85.627
bonds (distance) P-C4' energy: -82.951
flat angles C4'-P-C4' energy: -105.688
flat angles P-C4'-P energy: -62.884
tors. eta vs tors. theta energy: -111.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -1383.276976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1383.276976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1383.276976 (E_RNA)
where:
Base-Base interactions energy: -951.841
where: short stacking energy: -419.180
Base-Backbone interact. energy: -3.717
local terms energy: -427.718441
where:
bonds (distance) C4'-P energy: -77.431
bonds (distance) P-C4' energy: -78.546
flat angles C4'-P-C4' energy: -108.837
flat angles P-C4'-P energy: -60.866
tors. eta vs tors. theta energy: -102.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -1393.510191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.510191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.510191 (E_RNA)
where:
Base-Base interactions energy: -997.420
where: short stacking energy: -422.254
Base-Backbone interact. energy: -0.650
local terms energy: -395.439922
where:
bonds (distance) C4'-P energy: -82.471
bonds (distance) P-C4' energy: -79.740
flat angles C4'-P-C4' energy: -84.336
flat angles P-C4'-P energy: -54.633
tors. eta vs tors. theta energy: -94.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -1014.696798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1014.696798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1014.696798 (E_RNA)
where:
Base-Base interactions energy: -683.587
where: short stacking energy: -298.188
Base-Backbone interact. energy: -0.473
local terms energy: -330.636512
where:
bonds (distance) C4'-P energy: -77.443
bonds (distance) P-C4' energy: -73.490
flat angles C4'-P-C4' energy: -82.255
flat angles P-C4'-P energy: -54.746
tors. eta vs tors. theta energy: -42.703
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: 10
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -970.134625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.134625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.134625 (E_RNA)
where:
Base-Base interactions energy: -626.045
where: short stacking energy: -256.506
Base-Backbone interact. energy: 2.262
local terms energy: -346.351364
where:
bonds (distance) C4'-P energy: -75.046
bonds (distance) P-C4' energy: -96.047
flat angles C4'-P-C4' energy: -78.872
flat angles P-C4'-P energy: -63.451
tors. eta vs tors. theta energy: -32.936
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: 4
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -1970.362301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.362301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.362301 (E_RNA)
where:
Base-Base interactions energy: -1402.038
where: short stacking energy: -564.343
Base-Backbone interact. energy: -4.227
local terms energy: -564.097464
where:
bonds (distance) C4'-P energy: -103.209
bonds (distance) P-C4' energy: -104.733
flat angles C4'-P-C4' energy: -123.895
flat angles P-C4'-P energy: -76.345
tors. eta vs tors. theta energy: -155.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -1872.978408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.978408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.978408 (E_RNA)
where:
Base-Base interactions energy: -1330.898
where: short stacking energy: -544.905
Base-Backbone interact. energy: -1.857
local terms energy: -540.223604
where:
bonds (distance) C4'-P energy: -99.494
bonds (distance) P-C4' energy: -102.033
flat angles C4'-P-C4' energy: -118.614
flat angles P-C4'-P energy: -73.295
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: 3, replica: 2
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -1795.136990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.136990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.136990 (E_RNA)
where:
Base-Base interactions energy: -1271.360
where: short stacking energy: -512.903
Base-Backbone interact. energy: -3.075
local terms energy: -520.701679
where:
bonds (distance) C4'-P energy: -91.770
bonds (distance) P-C4' energy: -95.886
flat angles C4'-P-C4' energy: -112.784
flat angles P-C4'-P energy: -72.342
tors. eta vs tors. theta energy: -147.920
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: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -1717.452834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.452834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.452834 (E_RNA)
where:
Base-Base interactions energy: -1206.332
where: short stacking energy: -480.717
Base-Backbone interact. energy: -2.586
local terms energy: -508.534701
where:
bonds (distance) C4'-P energy: -89.521
bonds (distance) P-C4' energy: -102.992
flat angles C4'-P-C4' energy: -111.701
flat angles P-C4'-P energy: -70.792
tors. eta vs tors. theta energy: -133.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -1690.819764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.819764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.819764 (E_RNA)
where:
Base-Base interactions energy: -1212.858
where: short stacking energy: -513.530
Base-Backbone interact. energy: 1.006
local terms energy: -478.966901
where:
bonds (distance) C4'-P energy: -79.369
bonds (distance) P-C4' energy: -86.317
flat angles C4'-P-C4' energy: -102.858
flat angles P-C4'-P energy: -73.593
tors. eta vs tors. theta energy: -136.830
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: 9
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -1453.318370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.318370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.318370 (E_RNA)
where:
Base-Base interactions energy: -997.810
where: short stacking energy: -399.516
Base-Backbone interact. energy: 1.039
local terms energy: -456.546692
where:
bonds (distance) C4'-P energy: -88.027
bonds (distance) P-C4' energy: -97.642
flat angles C4'-P-C4' energy: -96.947
flat angles P-C4'-P energy: -64.962
tors. eta vs tors. theta energy: -108.968
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: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -1466.400724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.400724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.400724 (E_RNA)
where:
Base-Base interactions energy: -1034.103
where: short stacking energy: -412.901
Base-Backbone interact. energy: 6.466
local terms energy: -438.763421
where:
bonds (distance) C4'-P energy: -73.169
bonds (distance) P-C4' energy: -91.616
flat angles C4'-P-C4' energy: -105.541
flat angles P-C4'-P energy: -61.009
tors. eta vs tors. theta energy: -107.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -1316.065824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.065824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.065824 (E_RNA)
where:
Base-Base interactions energy: -924.769
where: short stacking energy: -392.477
Base-Backbone interact. energy: 1.393
local terms energy: -392.690256
where:
bonds (distance) C4'-P energy: -73.732
bonds (distance) P-C4' energy: -76.579
flat angles C4'-P-C4' energy: -92.927
flat angles P-C4'-P energy: -65.131
tors. eta vs tors. theta energy: -84.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -1005.582086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1005.582086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1005.582086 (E_RNA)
where:
Base-Base interactions energy: -660.088
where: short stacking energy: -307.980
Base-Backbone interact. energy: -0.862
local terms energy: -344.631948
where:
bonds (distance) C4'-P energy: -72.603
bonds (distance) P-C4' energy: -74.002
flat angles C4'-P-C4' energy: -75.232
flat angles P-C4'-P energy: -57.131
tors. eta vs tors. theta energy: -65.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -982.379297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -982.379297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -982.379297 (E_RNA)
where:
Base-Base interactions energy: -643.618
where: short stacking energy: -285.942
Base-Backbone interact. energy: -2.215
local terms energy: -336.546103
where:
bonds (distance) C4'-P energy: -78.429
bonds (distance) P-C4' energy: -74.084
flat angles C4'-P-C4' energy: -75.547
flat angles P-C4'-P energy: -69.745
tors. eta vs tors. theta energy: -38.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -1964.664541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.664541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.664541 (E_RNA)
where:
Base-Base interactions energy: -1424.616
where: short stacking energy: -553.362
Base-Backbone interact. energy: 0.244
local terms energy: -540.293044
where:
bonds (distance) C4'-P energy: -98.697
bonds (distance) P-C4' energy: -92.570
flat angles C4'-P-C4' energy: -114.929
flat angles P-C4'-P energy: -79.448
tors. eta vs tors. theta energy: -154.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -1878.767851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.767851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.767851 (E_RNA)
where:
Base-Base interactions energy: -1327.471
where: short stacking energy: -557.133
Base-Backbone interact. energy: -0.685
local terms energy: -550.611796
where:
bonds (distance) C4'-P energy: -100.614
bonds (distance) P-C4' energy: -103.150
flat angles C4'-P-C4' energy: -116.483
flat angles P-C4'-P energy: -81.741
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: 3, replica: 2
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -1780.845069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.845069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.845069 (E_RNA)
where:
Base-Base interactions energy: -1257.165
where: short stacking energy: -512.513
Base-Backbone interact. energy: -3.330
local terms energy: -520.349799
where:
bonds (distance) C4'-P energy: -94.370
bonds (distance) P-C4' energy: -87.801
flat angles C4'-P-C4' energy: -114.009
flat angles P-C4'-P energy: -81.118
tors. eta vs tors. theta energy: -143.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -1700.512514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.512514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.512514 (E_RNA)
where:
Base-Base interactions energy: -1193.127
where: short stacking energy: -483.027
Base-Backbone interact. energy: -1.363
local terms energy: -506.021917
where:
bonds (distance) C4'-P energy: -92.017
bonds (distance) P-C4' energy: -99.163
flat angles C4'-P-C4' energy: -108.066
flat angles P-C4'-P energy: -76.237
tors. eta vs tors. theta energy: -130.539
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: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -1657.418724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.418724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.418724 (E_RNA)
where:
Base-Base interactions energy: -1176.059
where: short stacking energy: -451.122
Base-Backbone interact. energy: 3.186
local terms energy: -484.545284
where:
bonds (distance) C4'-P energy: -94.367
bonds (distance) P-C4' energy: -89.627
flat angles C4'-P-C4' energy: -113.264
flat angles P-C4'-P energy: -62.787
tors. eta vs tors. theta energy: -124.500
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: 5
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -1442.113963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.113963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.113963 (E_RNA)
where:
Base-Base interactions energy: -1010.057
where: short stacking energy: -422.333
Base-Backbone interact. energy: -0.214
local terms energy: -431.843397
where:
bonds (distance) C4'-P energy: -80.499
bonds (distance) P-C4' energy: -73.967
flat angles C4'-P-C4' energy: -110.886
flat angles P-C4'-P energy: -64.211
tors. eta vs tors. theta energy: -102.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -1434.180687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.180687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.180687 (E_RNA)
where:
Base-Base interactions energy: -1020.015
where: short stacking energy: -427.564
Base-Backbone interact. energy: -3.369
local terms energy: -410.795872
where:
bonds (distance) C4'-P energy: -56.764
bonds (distance) P-C4' energy: -89.639
flat angles C4'-P-C4' energy: -100.365
flat angles P-C4'-P energy: -65.268
tors. eta vs tors. theta energy: -98.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -1259.488961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.488961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.488961 (E_RNA)
where:
Base-Base interactions energy: -883.344
where: short stacking energy: -373.282
Base-Backbone interact. energy: 5.012
local terms energy: -381.157043
where:
bonds (distance) C4'-P energy: -70.093
bonds (distance) P-C4' energy: -76.739
flat angles C4'-P-C4' energy: -103.903
flat angles P-C4'-P energy: -48.558
tors. eta vs tors. theta energy: -81.865
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: 143
Temperature: 1.300000
Total energy: -1060.011594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.011594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.011594 (E_RNA)
where:
Base-Base interactions energy: -673.098
where: short stacking energy: -313.668
Base-Backbone interact. energy: 0.447
local terms energy: -387.359911
where:
bonds (distance) C4'-P energy: -66.695
bonds (distance) P-C4' energy: -97.944
flat angles C4'-P-C4' energy: -98.670
flat angles P-C4'-P energy: -70.296
tors. eta vs tors. theta energy: -53.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -972.994874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.994874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.994874 (E_RNA)
where:
Base-Base interactions energy: -643.613
where: short stacking energy: -284.216
Base-Backbone interact. energy: 1.467
local terms energy: -330.849487
where:
bonds (distance) C4'-P energy: -74.349
bonds (distance) P-C4' energy: -85.529
flat angles C4'-P-C4' energy: -74.496
flat angles P-C4'-P energy: -60.649
tors. eta vs tors. theta energy: -35.827
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: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -1982.976259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.976259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.976259 (E_RNA)
where:
Base-Base interactions energy: -1422.467
where: short stacking energy: -560.220
Base-Backbone interact. energy: -3.723
local terms energy: -556.785624
where:
bonds (distance) C4'-P energy: -111.089
bonds (distance) P-C4' energy: -93.415
flat angles C4'-P-C4' energy: -112.616
flat angles P-C4'-P energy: -89.276
tors. eta vs tors. theta energy: -150.391
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: 1
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -1867.199509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.199509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.199509 (E_RNA)
where:
Base-Base interactions energy: -1309.097
where: short stacking energy: -553.379
Base-Backbone interact. energy: -1.505
local terms energy: -556.597456
where:
bonds (distance) C4'-P energy: -104.638
bonds (distance) P-C4' energy: -98.026
flat angles C4'-P-C4' energy: -117.213
flat angles P-C4'-P energy: -83.772
tors. eta vs tors. theta energy: -152.948
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: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -1768.660740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.660740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.660740 (E_RNA)
where:
Base-Base interactions energy: -1241.687
where: short stacking energy: -503.322
Base-Backbone interact. energy: -2.190
local terms energy: -524.783693
where:
bonds (distance) C4'-P energy: -88.183
bonds (distance) P-C4' energy: -104.271
flat angles C4'-P-C4' energy: -111.171
flat angles P-C4'-P energy: -82.438
tors. eta vs tors. theta energy: -138.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -1659.418450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.418450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.418450 (E_RNA)
where:
Base-Base interactions energy: -1164.013
where: short stacking energy: -480.510
Base-Backbone interact. energy: 2.830
local terms energy: -498.236321
where:
bonds (distance) C4'-P energy: -92.141
bonds (distance) P-C4' energy: -91.752
flat angles C4'-P-C4' energy: -117.116
flat angles P-C4'-P energy: -70.177
tors. eta vs tors. theta energy: -127.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -1664.932496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.932496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.932496 (E_RNA)
where:
Base-Base interactions energy: -1189.473
where: short stacking energy: -468.390
Base-Backbone interact. energy: -2.153
local terms energy: -473.306817
where:
bonds (distance) C4'-P energy: -79.594
bonds (distance) P-C4' energy: -89.925
flat angles C4'-P-C4' energy: -105.581
flat angles P-C4'-P energy: -76.442
tors. eta vs tors. theta energy: -121.765
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: 5
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -1456.124885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.124885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.124885 (E_RNA)
where:
Base-Base interactions energy: -1001.998
where: short stacking energy: -417.918
Base-Backbone interact. energy: -2.931
local terms energy: -451.196477
where:
bonds (distance) C4'-P energy: -72.958
bonds (distance) P-C4' energy: -97.218
flat angles C4'-P-C4' energy: -101.051
flat angles P-C4'-P energy: -72.747
tors. eta vs tors. theta energy: -107.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -1430.799744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.799744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.799744 (E_RNA)
where:
Base-Base interactions energy: -1004.717
where: short stacking energy: -425.667
Base-Backbone interact. energy: -2.494
local terms energy: -423.588552
where:
bonds (distance) C4'-P energy: -87.897
bonds (distance) P-C4' energy: -72.870
flat angles C4'-P-C4' energy: -86.818
flat angles P-C4'-P energy: -63.277
tors. eta vs tors. theta energy: -112.728
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: 7
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -1319.512744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.512744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.512744 (E_RNA)
where:
Base-Base interactions energy: -886.103
where: short stacking energy: -366.879
Base-Backbone interact. energy: -3.951
local terms energy: -429.458586
where:
bonds (distance) C4'-P energy: -108.668
bonds (distance) P-C4' energy: -93.954
flat angles C4'-P-C4' energy: -86.579
flat angles P-C4'-P energy: -52.310
tors. eta vs tors. theta energy: -87.948
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: 6
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -1095.534518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1095.534518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1095.534518 (E_RNA)
where:
Base-Base interactions energy: -747.024
where: short stacking energy: -345.306
Base-Backbone interact. energy: 1.224
local terms energy: -349.733963
where:
bonds (distance) C4'-P energy: -65.841
bonds (distance) P-C4' energy: -75.582
flat angles C4'-P-C4' energy: -83.398
flat angles P-C4'-P energy: -46.971
tors. eta vs tors. theta energy: -77.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -1043.107587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1043.107587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1043.107587 (E_RNA)
where:
Base-Base interactions energy: -719.255
where: short stacking energy: -275.228
Base-Backbone interact. energy: 0.095
local terms energy: -323.947666
where:
bonds (distance) C4'-P energy: -79.927
bonds (distance) P-C4' energy: -81.185
flat angles C4'-P-C4' energy: -78.181
flat angles P-C4'-P energy: -50.055
tors. eta vs tors. theta energy: -34.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -1961.238997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.238997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.238997 (E_RNA)
where:
Base-Base interactions energy: -1406.071
where: short stacking energy: -556.099
Base-Backbone interact. energy: -1.475
local terms energy: -553.693780
where:
bonds (distance) C4'-P energy: -104.487
bonds (distance) P-C4' energy: -98.781
flat angles C4'-P-C4' energy: -118.711
flat angles P-C4'-P energy: -78.478
tors. eta vs tors. theta energy: -153.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -1872.165932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.165932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.165932 (E_RNA)
where:
Base-Base interactions energy: -1322.962
where: short stacking energy: -537.164
Base-Backbone interact. energy: -1.115
local terms energy: -548.088637
where:
bonds (distance) C4'-P energy: -95.488
bonds (distance) P-C4' energy: -107.656
flat angles C4'-P-C4' energy: -120.984
flat angles P-C4'-P energy: -81.291
tors. eta vs tors. theta energy: -142.670
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: 2
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -1799.820337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.820337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.820337 (E_RNA)
where:
Base-Base interactions energy: -1295.061
where: short stacking energy: -528.592
Base-Backbone interact. energy: -1.451
local terms energy: -503.308631
where:
bonds (distance) C4'-P energy: -96.179
bonds (distance) P-C4' energy: -85.555
flat angles C4'-P-C4' energy: -110.617
flat angles P-C4'-P energy: -74.316
tors. eta vs tors. theta energy: -136.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -1702.448877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.448877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.448877 (E_RNA)
where:
Base-Base interactions energy: -1240.858
where: short stacking energy: -492.568
Base-Backbone interact. energy: 2.143
local terms energy: -463.733358
where:
bonds (distance) C4'-P energy: -81.257
bonds (distance) P-C4' energy: -96.651
flat angles C4'-P-C4' energy: -92.121
flat angles P-C4'-P energy: -73.780
tors. eta vs tors. theta energy: -119.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -1633.602989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.602989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.602989 (E_RNA)
where:
Base-Base interactions energy: -1144.825
where: short stacking energy: -447.332
Base-Backbone interact. energy: -1.846
local terms energy: -486.932286
where:
bonds (distance) C4'-P energy: -91.039
bonds (distance) P-C4' energy: -84.227
flat angles C4'-P-C4' energy: -108.988
flat angles P-C4'-P energy: -75.129
tors. eta vs tors. theta energy: -127.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -1484.078724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.078724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.078724 (E_RNA)
where:
Base-Base interactions energy: -1042.250
where: short stacking energy: -436.013
Base-Backbone interact. energy: 3.982
local terms energy: -445.810187
where:
bonds (distance) C4'-P energy: -86.904
bonds (distance) P-C4' energy: -84.489
flat angles C4'-P-C4' energy: -113.183
flat angles P-C4'-P energy: -52.994
tors. eta vs tors. theta energy: -108.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -1431.617433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.617433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.617433 (E_RNA)
where:
Base-Base interactions energy: -1002.145
where: short stacking energy: -415.875
Base-Backbone interact. energy: 0.432
local terms energy: -429.904074
where:
bonds (distance) C4'-P energy: -73.032
bonds (distance) P-C4' energy: -97.519
flat angles C4'-P-C4' energy: -96.785
flat angles P-C4'-P energy: -71.045
tors. eta vs tors. theta energy: -91.524
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: 8, replica: 7
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -1311.951707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.951707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.951707 (E_RNA)
where:
Base-Base interactions energy: -903.674
where: short stacking energy: -366.716
Base-Backbone interact. energy: -2.725
local terms energy: -405.552680
where:
bonds (distance) C4'-P energy: -65.707
bonds (distance) P-C4' energy: -87.886
flat angles C4'-P-C4' energy: -94.866
flat angles P-C4'-P energy: -59.921
tors. eta vs tors. theta energy: -97.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -1087.278345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.278345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.278345 (E_RNA)
where:
Base-Base interactions energy: -701.854
where: short stacking energy: -314.364
Base-Backbone interact. energy: 0.128
local terms energy: -385.552916
where:
bonds (distance) C4'-P energy: -84.450
bonds (distance) P-C4' energy: -101.569
flat angles C4'-P-C4' energy: -95.991
flat angles P-C4'-P energy: -46.211
tors. eta vs tors. theta energy: -57.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -1035.842305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.842305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.842305 (E_RNA)
where:
Base-Base interactions energy: -686.497
where: short stacking energy: -307.091
Base-Backbone interact. energy: 5.180
local terms energy: -354.524701
where:
bonds (distance) C4'-P energy: -89.564
bonds (distance) P-C4' energy: -77.560
flat angles C4'-P-C4' energy: -86.108
flat angles P-C4'-P energy: -47.383
tors. eta vs tors. theta energy: -53.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -1971.501116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.501116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.501116 (E_RNA)
where:
Base-Base interactions energy: -1422.256
where: short stacking energy: -571.425
Base-Backbone interact. energy: -0.735
local terms energy: -548.510738
where:
bonds (distance) C4'-P energy: -96.190
bonds (distance) P-C4' energy: -111.035
flat angles C4'-P-C4' energy: -111.335
flat angles P-C4'-P energy: -75.112
tors. eta vs tors. theta energy: -154.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -1857.925787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.925787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.925787 (E_RNA)
where:
Base-Base interactions energy: -1329.948
where: short stacking energy: -539.135
Base-Backbone interact. energy: -2.674
local terms energy: -525.304181
where:
bonds (distance) C4'-P energy: -86.774
bonds (distance) P-C4' energy: -97.623
flat angles C4'-P-C4' energy: -122.357
flat angles P-C4'-P energy: -76.813
tors. eta vs tors. theta energy: -141.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -1807.802375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.802375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.802375 (E_RNA)
where:
Base-Base interactions energy: -1274.546
where: short stacking energy: -517.738
Base-Backbone interact. energy: -3.304
local terms energy: -529.952591
where:
bonds (distance) C4'-P energy: -86.852
bonds (distance) P-C4' energy: -96.118
flat angles C4'-P-C4' energy: -123.126
flat angles P-C4'-P energy: -85.215
tors. eta vs tors. theta energy: -138.643
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: 8
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -1717.936016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.936016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.936016 (E_RNA)
where:
Base-Base interactions energy: -1224.523
where: short stacking energy: -490.721
Base-Backbone interact. energy: 0.772
local terms energy: -494.185138
where:
bonds (distance) C4'-P energy: -90.247
bonds (distance) P-C4' energy: -98.032
flat angles C4'-P-C4' energy: -105.312
flat angles P-C4'-P energy: -69.768
tors. eta vs tors. theta energy: -130.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -1648.162426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.162426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.162426 (E_RNA)
where:
Base-Base interactions energy: -1183.431
where: short stacking energy: -472.697
Base-Backbone interact. energy: -0.866
local terms energy: -463.865718
where:
bonds (distance) C4'-P energy: -75.228
bonds (distance) P-C4' energy: -93.354
flat angles C4'-P-C4' energy: -105.662
flat angles P-C4'-P energy: -70.435
tors. eta vs tors. theta energy: -119.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -1534.252023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.252023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.252023 (E_RNA)
where:
Base-Base interactions energy: -1073.896
where: short stacking energy: -445.745
Base-Backbone interact. energy: -1.737
local terms energy: -458.618693
where:
bonds (distance) C4'-P energy: -82.327
bonds (distance) P-C4' energy: -98.565
flat angles C4'-P-C4' energy: -107.797
flat angles P-C4'-P energy: -60.427
tors. eta vs tors. theta energy: -109.503
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: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -1423.995503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.995503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.995503 (E_RNA)
where:
Base-Base interactions energy: -988.865
where: short stacking energy: -407.745
Base-Backbone interact. energy: -3.025
local terms energy: -432.105706
where:
bonds (distance) C4'-P energy: -72.061
bonds (distance) P-C4' energy: -76.005
flat angles C4'-P-C4' energy: -104.543
flat angles P-C4'-P energy: -77.367
tors. eta vs tors. theta energy: -102.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -1253.540247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.540247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.540247 (E_RNA)
where:
Base-Base interactions energy: -843.255
where: short stacking energy: -355.760
Base-Backbone interact. energy: 7.047
local terms energy: -417.332233
where:
bonds (distance) C4'-P energy: -94.032
bonds (distance) P-C4' energy: -85.067
flat angles C4'-P-C4' energy: -89.347
flat angles P-C4'-P energy: -67.718
tors. eta vs tors. theta energy: -81.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -1049.854813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.854813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.854813 (E_RNA)
where:
Base-Base interactions energy: -710.257
where: short stacking energy: -300.576
Base-Backbone interact. energy: 6.398
local terms energy: -345.996008
where:
bonds (distance) C4'-P energy: -77.917
bonds (distance) P-C4' energy: -83.469
flat angles C4'-P-C4' energy: -93.026
flat angles P-C4'-P energy: -45.824
tors. eta vs tors. theta energy: -45.760
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: 6
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -1044.877610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.877610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.877610 (E_RNA)
where:
Base-Base interactions energy: -684.644
where: short stacking energy: -284.756
Base-Backbone interact. energy: 5.385
local terms energy: -365.618950
where:
bonds (distance) C4'-P energy: -80.095
bonds (distance) P-C4' energy: -96.599
flat angles C4'-P-C4' energy: -89.153
flat angles P-C4'-P energy: -58.569
tors. eta vs tors. theta energy: -41.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -1952.866152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.866152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.866152 (E_RNA)
where:
Base-Base interactions energy: -1389.051
where: short stacking energy: -556.252
Base-Backbone interact. energy: -3.184
local terms energy: -560.631384
where:
bonds (distance) C4'-P energy: -96.334
bonds (distance) P-C4' energy: -101.396
flat angles C4'-P-C4' energy: -122.825
flat angles P-C4'-P energy: -82.060
tors. eta vs tors. theta energy: -158.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -1870.769064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.769064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.769064 (E_RNA)
where:
Base-Base interactions energy: -1335.590
where: short stacking energy: -541.768
Base-Backbone interact. energy: 0.381
local terms energy: -535.559827
where:
bonds (distance) C4'-P energy: -103.988
bonds (distance) P-C4' energy: -90.715
flat angles C4'-P-C4' energy: -108.150
flat angles P-C4'-P energy: -78.743
tors. eta vs tors. theta energy: -153.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -1812.267662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.267662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.267662 (E_RNA)
where:
Base-Base interactions energy: -1291.319
where: short stacking energy: -526.518
Base-Backbone interact. energy: -2.645
local terms energy: -518.303653
where:
bonds (distance) C4'-P energy: -93.900
bonds (distance) P-C4' energy: -85.118
flat angles C4'-P-C4' energy: -110.160
flat angles P-C4'-P energy: -75.744
tors. eta vs tors. theta energy: -153.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -1674.876627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.876627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.876627 (E_RNA)
where:
Base-Base interactions energy: -1195.265
where: short stacking energy: -466.607
Base-Backbone interact. energy: -0.358
local terms energy: -479.253548
where:
bonds (distance) C4'-P energy: -95.009
bonds (distance) P-C4' energy: -80.470
flat angles C4'-P-C4' energy: -112.584
flat angles P-C4'-P energy: -78.325
tors. eta vs tors. theta energy: -112.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -1645.750055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.750055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.750055 (E_RNA)
where:
Base-Base interactions energy: -1170.843
where: short stacking energy: -490.493
Base-Backbone interact. energy: -1.664
local terms energy: -473.242727
where:
bonds (distance) C4'-P energy: -79.216
bonds (distance) P-C4' energy: -95.325
flat angles C4'-P-C4' energy: -106.208
flat angles P-C4'-P energy: -65.872
tors. eta vs tors. theta energy: -126.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -1514.868144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.868144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.868144 (E_RNA)
where:
Base-Base interactions energy: -1058.481
where: short stacking energy: -451.416
Base-Backbone interact. energy: 0.320
local terms energy: -456.706949
where:
bonds (distance) C4'-P energy: -94.957
bonds (distance) P-C4' energy: -99.667
flat angles C4'-P-C4' energy: -104.135
flat angles P-C4'-P energy: -53.234
tors. eta vs tors. theta energy: -104.715
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: 9
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -1403.858037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.858037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.858037 (E_RNA)
where:
Base-Base interactions energy: -967.327
where: short stacking energy: -398.618
Base-Backbone interact. energy: 0.146
local terms energy: -436.677122
where:
bonds (distance) C4'-P energy: -95.392
bonds (distance) P-C4' energy: -95.396
flat angles C4'-P-C4' energy: -101.305
flat angles P-C4'-P energy: -51.847
tors. eta vs tors. theta energy: -92.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -1335.952872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.952872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.952872 (E_RNA)
where:
Base-Base interactions energy: -925.436
where: short stacking energy: -373.168
Base-Backbone interact. energy: 0.749
local terms energy: -411.266448
where:
bonds (distance) C4'-P energy: -76.905
bonds (distance) P-C4' energy: -92.816
flat angles C4'-P-C4' energy: -86.533
flat angles P-C4'-P energy: -78.259
tors. eta vs tors. theta energy: -76.754
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: 9, replica: 10
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -1022.148672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.148672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.148672 (E_RNA)
where:
Base-Base interactions energy: -683.751
where: short stacking energy: -302.795
Base-Backbone interact. energy: 3.639
local terms energy: -342.036053
where:
bonds (distance) C4'-P energy: -81.077
bonds (distance) P-C4' energy: -97.680
flat angles C4'-P-C4' energy: -70.642
flat angles P-C4'-P energy: -48.299
tors. eta vs tors. theta energy: -44.339
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: 6
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -1077.773742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.773742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.773742 (E_RNA)
where:
Base-Base interactions energy: -723.393
where: short stacking energy: -326.776
Base-Backbone interact. energy: -2.352
local terms energy: -352.028610
where:
bonds (distance) C4'-P energy: -77.813
bonds (distance) P-C4' energy: -72.626
flat angles C4'-P-C4' energy: -82.446
flat angles P-C4'-P energy: -48.791
tors. eta vs tors. theta energy: -70.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -1964.623441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.623441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.623441 (E_RNA)
where:
Base-Base interactions energy: -1400.247
where: short stacking energy: -567.400
Base-Backbone interact. energy: -1.968
local terms energy: -562.408193
where:
bonds (distance) C4'-P energy: -110.226
bonds (distance) P-C4' energy: -99.828
flat angles C4'-P-C4' energy: -109.287
flat angles P-C4'-P energy: -82.910
tors. eta vs tors. theta energy: -160.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -1887.555688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.555688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.555688 (E_RNA)
where:
Base-Base interactions energy: -1321.343
where: short stacking energy: -545.003
Base-Backbone interact. energy: 0.602
local terms energy: -566.813845
where:
bonds (distance) C4'-P energy: -97.419
bonds (distance) P-C4' energy: -108.353
flat angles C4'-P-C4' energy: -120.500
flat angles P-C4'-P energy: -84.079
tors. eta vs tors. theta energy: -156.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -1814.698381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.698381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.698381 (E_RNA)
where:
Base-Base interactions energy: -1292.182
where: short stacking energy: -518.629
Base-Backbone interact. energy: -0.768
local terms energy: -521.748288
where:
bonds (distance) C4'-P energy: -90.026
bonds (distance) P-C4' energy: -100.222
flat angles C4'-P-C4' energy: -111.820
flat angles P-C4'-P energy: -84.208
tors. eta vs tors. theta energy: -135.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -1657.296504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.296504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.296504 (E_RNA)
where:
Base-Base interactions energy: -1148.396
where: short stacking energy: -483.370
Base-Backbone interact. energy: 0.157
local terms energy: -509.057922
where:
bonds (distance) C4'-P energy: -94.612
bonds (distance) P-C4' energy: -105.165
flat angles C4'-P-C4' energy: -101.224
flat angles P-C4'-P energy: -73.694
tors. eta vs tors. theta energy: -134.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -1625.232975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.232975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.232975 (E_RNA)
where:
Base-Base interactions energy: -1144.444
where: short stacking energy: -448.136
Base-Backbone interact. energy: 1.747
local terms energy: -482.535957
where:
bonds (distance) C4'-P energy: -99.464
bonds (distance) P-C4' energy: -90.875
flat angles C4'-P-C4' energy: -107.293
flat angles P-C4'-P energy: -70.852
tors. eta vs tors. theta energy: -114.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -1522.275281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.275281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.275281 (E_RNA)
where:
Base-Base interactions energy: -1044.556
where: short stacking energy: -419.091
Base-Backbone interact. energy: -3.198
local terms energy: -474.521102
where:
bonds (distance) C4'-P energy: -89.959
bonds (distance) P-C4' energy: -99.697
flat angles C4'-P-C4' energy: -104.445
flat angles P-C4'-P energy: -67.547
tors. eta vs tors. theta energy: -112.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -1411.458001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.458001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.458001 (E_RNA)
where:
Base-Base interactions energy: -974.296
where: short stacking energy: -404.886
Base-Backbone interact. energy: 1.025
local terms energy: -438.187877
where:
bonds (distance) C4'-P energy: -76.877
bonds (distance) P-C4' energy: -96.758
flat angles C4'-P-C4' energy: -92.660
flat angles P-C4'-P energy: -73.389
tors. eta vs tors. theta energy: -98.504
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: 7
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -1322.445091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.445091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.445091 (E_RNA)
where:
Base-Base interactions energy: -905.924
where: short stacking energy: -362.993
Base-Backbone interact. energy: -0.839
local terms energy: -415.681959
where:
bonds (distance) C4'-P energy: -82.240
bonds (distance) P-C4' energy: -76.216
flat angles C4'-P-C4' energy: -101.090
flat angles P-C4'-P energy: -60.156
tors. eta vs tors. theta energy: -95.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -1074.903314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.903314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.903314 (E_RNA)
where:
Base-Base interactions energy: -697.763
where: short stacking energy: -324.597
Base-Backbone interact. energy: -1.254
local terms energy: -375.886089
where:
bonds (distance) C4'-P energy: -74.740
bonds (distance) P-C4' energy: -82.034
flat angles C4'-P-C4' energy: -86.249
flat angles P-C4'-P energy: -60.361
tors. eta vs tors. theta energy: -72.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -1015.128571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1015.128571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1015.128571 (E_RNA)
where:
Base-Base interactions energy: -667.256
where: short stacking energy: -296.148
Base-Backbone interact. energy: 0.172
local terms energy: -348.043868
where:
bonds (distance) C4'-P energy: -82.803
bonds (distance) P-C4' energy: -83.534
flat angles C4'-P-C4' energy: -86.888
flat angles P-C4'-P energy: -42.269
tors. eta vs tors. theta energy: -52.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -1946.840255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.840255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.840255 (E_RNA)
where:
Base-Base interactions energy: -1399.575
where: short stacking energy: -559.368
Base-Backbone interact. energy: -2.806
local terms energy: -544.459882
where:
bonds (distance) C4'-P energy: -88.670
bonds (distance) P-C4' energy: -95.998
flat angles C4'-P-C4' energy: -123.247
flat angles P-C4'-P energy: -74.534
tors. eta vs tors. theta energy: -162.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -1886.657308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.657308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.657308 (E_RNA)
where:
Base-Base interactions energy: -1348.752
where: short stacking energy: -553.594
Base-Backbone interact. energy: 1.696
local terms energy: -539.601234
where:
bonds (distance) C4'-P energy: -91.606
bonds (distance) P-C4' energy: -106.473
flat angles C4'-P-C4' energy: -110.973
flat angles P-C4'-P energy: -70.900
tors. eta vs tors. theta energy: -159.650
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: 2
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -1791.332471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.332471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.332471 (E_RNA)
where:
Base-Base interactions energy: -1296.488
where: short stacking energy: -508.355
Base-Backbone interact. energy: -1.222
local terms energy: -493.622284
where:
bonds (distance) C4'-P energy: -94.458
bonds (distance) P-C4' energy: -102.463
flat angles C4'-P-C4' energy: -102.926
flat angles P-C4'-P energy: -61.397
tors. eta vs tors. theta energy: -132.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -1638.111123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.111123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.111123 (E_RNA)
where:
Base-Base interactions energy: -1145.199
where: short stacking energy: -481.735
Base-Backbone interact. energy: -1.412
local terms energy: -491.500124
where:
bonds (distance) C4'-P energy: -91.536
bonds (distance) P-C4' energy: -81.439
flat angles C4'-P-C4' energy: -112.740
flat angles P-C4'-P energy: -71.916
tors. eta vs tors. theta energy: -133.869
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: 3
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -1662.140591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.140591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.140591 (E_RNA)
where:
Base-Base interactions energy: -1156.851
where: short stacking energy: -483.057
Base-Backbone interact. energy: -2.361
local terms energy: -502.928179
where:
bonds (distance) C4'-P energy: -100.750
bonds (distance) P-C4' energy: -98.743
flat angles C4'-P-C4' energy: -99.827
flat angles P-C4'-P energy: -71.834
tors. eta vs tors. theta energy: -131.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -1500.402364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.402364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.402364 (E_RNA)
where:
Base-Base interactions energy: -1035.479
where: short stacking energy: -427.025
Base-Backbone interact. energy: -1.750
local terms energy: -463.173879
where:
bonds (distance) C4'-P energy: -92.816
bonds (distance) P-C4' energy: -95.342
flat angles C4'-P-C4' energy: -97.920
flat angles P-C4'-P energy: -60.848
tors. eta vs tors. theta energy: -116.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -1428.086510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.086510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.086510 (E_RNA)
where:
Base-Base interactions energy: -984.215
where: short stacking energy: -415.008
Base-Backbone interact. energy: -1.593
local terms energy: -442.278303
where:
bonds (distance) C4'-P energy: -95.398
bonds (distance) P-C4' energy: -82.571
flat angles C4'-P-C4' energy: -107.189
flat angles P-C4'-P energy: -52.669
tors. eta vs tors. theta energy: -104.452
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: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -1376.010764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.010764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.010764 (E_RNA)
where:
Base-Base interactions energy: -938.666
where: short stacking energy: -385.747
Base-Backbone interact. energy: 3.549
local terms energy: -440.894065
where:
bonds (distance) C4'-P energy: -85.558
bonds (distance) P-C4' energy: -99.663
flat angles C4'-P-C4' energy: -99.591
flat angles P-C4'-P energy: -62.308
tors. eta vs tors. theta energy: -93.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -1042.389649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1042.389649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1042.389649 (E_RNA)
where:
Base-Base interactions energy: -710.649
where: short stacking energy: -329.995
Base-Backbone interact. energy: 0.782
local terms energy: -332.522266
where:
bonds (distance) C4'-P energy: -66.690
bonds (distance) P-C4' energy: -85.262
flat angles C4'-P-C4' energy: -90.042
flat angles P-C4'-P energy: -31.318
tors. eta vs tors. theta energy: -59.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -977.615271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -977.615271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -977.615271 (E_RNA)
where:
Base-Base interactions energy: -644.466
where: short stacking energy: -289.120
Base-Backbone interact. energy: -0.345
local terms energy: -332.803612
where:
bonds (distance) C4'-P energy: -73.971
bonds (distance) P-C4' energy: -87.235
flat angles C4'-P-C4' energy: -77.100
flat angles P-C4'-P energy: -51.258
tors. eta vs tors. theta energy: -43.239
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: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -1981.622228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.622228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.622228 (E_RNA)
where:
Base-Base interactions energy: -1414.876
where: short stacking energy: -573.273
Base-Backbone interact. energy: 0.103
local terms energy: -566.848856
where:
bonds (distance) C4'-P energy: -100.176
bonds (distance) P-C4' energy: -103.148
flat angles C4'-P-C4' energy: -119.696
flat angles P-C4'-P energy: -81.333
tors. eta vs tors. theta energy: -162.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -1914.334806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.334806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.334806 (E_RNA)
where:
Base-Base interactions energy: -1362.878
where: short stacking energy: -557.444
Base-Backbone interact. energy: 1.656
local terms energy: -553.112741
where:
bonds (distance) C4'-P energy: -102.542
bonds (distance) P-C4' energy: -103.197
flat angles C4'-P-C4' energy: -116.670
flat angles P-C4'-P energy: -74.253
tors. eta vs tors. theta energy: -156.450
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: 2
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -1850.975774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.975774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.975774 (E_RNA)
where:
Base-Base interactions energy: -1317.774
where: short stacking energy: -527.695
Base-Backbone interact. energy: -3.101
local terms energy: -530.101193
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -101.548
flat angles C4'-P-C4' energy: -111.624
flat angles P-C4'-P energy: -71.948
tors. eta vs tors. theta energy: -152.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -1661.469495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.469495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.469495 (E_RNA)
where:
Base-Base interactions energy: -1166.444
where: short stacking energy: -466.222
Base-Backbone interact. energy: -0.422
local terms energy: -494.603655
where:
bonds (distance) C4'-P energy: -95.488
bonds (distance) P-C4' energy: -86.654
flat angles C4'-P-C4' energy: -110.443
flat angles P-C4'-P energy: -83.422
tors. eta vs tors. theta energy: -118.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -1661.908494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.908494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.908494 (E_RNA)
where:
Base-Base interactions energy: -1195.418
where: short stacking energy: -487.526
Base-Backbone interact. energy: 1.413
local terms energy: -467.903281
where:
bonds (distance) C4'-P energy: -84.365
bonds (distance) P-C4' energy: -98.750
flat angles C4'-P-C4' energy: -93.551
flat angles P-C4'-P energy: -61.163
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: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -1497.205189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.205189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.205189 (E_RNA)
where:
Base-Base interactions energy: -1020.142
where: short stacking energy: -426.442
Base-Backbone interact. energy: 5.323
local terms energy: -482.386553
where:
bonds (distance) C4'-P energy: -93.238
bonds (distance) P-C4' energy: -100.482
flat angles C4'-P-C4' energy: -107.098
flat angles P-C4'-P energy: -69.430
tors. eta vs tors. theta energy: -112.139
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: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -1413.971200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.971200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.971200 (E_RNA)
where:
Base-Base interactions energy: -989.837
where: short stacking energy: -403.843
Base-Backbone interact. energy: -2.431
local terms energy: -421.702864
where:
bonds (distance) C4'-P energy: -82.894
bonds (distance) P-C4' energy: -89.248
flat angles C4'-P-C4' energy: -95.935
flat angles P-C4'-P energy: -61.913
tors. eta vs tors. theta energy: -91.714
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: 7
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -1344.737519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.737519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.737519 (E_RNA)
where:
Base-Base interactions energy: -919.171
where: short stacking energy: -367.294
Base-Backbone interact. energy: -0.494
local terms energy: -425.072591
where:
bonds (distance) C4'-P energy: -70.355
bonds (distance) P-C4' energy: -85.926
flat angles C4'-P-C4' energy: -105.984
flat angles P-C4'-P energy: -77.138
tors. eta vs tors. theta energy: -85.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -1054.972095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.972095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.972095 (E_RNA)
where:
Base-Base interactions energy: -693.485
where: short stacking energy: -287.499
Base-Backbone interact. energy: -2.587
local terms energy: -358.900089
where:
bonds (distance) C4'-P energy: -73.693
bonds (distance) P-C4' energy: -99.272
flat angles C4'-P-C4' energy: -91.686
flat angles P-C4'-P energy: -53.917
tors. eta vs tors. theta energy: -40.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -920.254559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -920.254559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -920.254559 (E_RNA)
where:
Base-Base interactions energy: -587.745
where: short stacking energy: -255.090
Base-Backbone interact. energy: 1.156
local terms energy: -333.665550
where:
bonds (distance) C4'-P energy: -67.451
bonds (distance) P-C4' energy: -88.144
flat angles C4'-P-C4' energy: -69.365
flat angles P-C4'-P energy: -61.439
tors. eta vs tors. theta energy: -47.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -1990.035727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.035727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.035727 (E_RNA)
where:
Base-Base interactions energy: -1425.343
where: short stacking energy: -562.398
Base-Backbone interact. energy: 5.305
local terms energy: -569.998235
where:
bonds (distance) C4'-P energy: -97.344
bonds (distance) P-C4' energy: -113.414
flat angles C4'-P-C4' energy: -120.028
flat angles P-C4'-P energy: -76.887
tors. eta vs tors. theta energy: -162.326
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: 151
Temperature: 0.950000
Total energy: -1871.896966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.896966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.896966 (E_RNA)
where:
Base-Base interactions energy: -1348.098
where: short stacking energy: -539.039
Base-Backbone interact. energy: 2.489
local terms energy: -526.288189
where:
bonds (distance) C4'-P energy: -95.136
bonds (distance) P-C4' energy: -97.014
flat angles C4'-P-C4' energy: -118.822
flat angles P-C4'-P energy: -70.212
tors. eta vs tors. theta energy: -145.104
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: 1
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -1890.129885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.129885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.129885 (E_RNA)
where:
Base-Base interactions energy: -1347.484
where: short stacking energy: -560.204
Base-Backbone interact. energy: -3.164
local terms energy: -539.481828
where:
bonds (distance) C4'-P energy: -95.602
bonds (distance) P-C4' energy: -107.404
flat angles C4'-P-C4' energy: -113.916
flat angles P-C4'-P energy: -75.243
tors. eta vs tors. theta energy: -147.318
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: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -1667.626494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.626494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.626494 (E_RNA)
where:
Base-Base interactions energy: -1179.810
where: short stacking energy: -459.948
Base-Backbone interact. energy: -2.464
local terms energy: -485.351946
where:
bonds (distance) C4'-P energy: -98.847
bonds (distance) P-C4' energy: -91.114
flat angles C4'-P-C4' energy: -108.103
flat angles P-C4'-P energy: -72.726
tors. eta vs tors. theta energy: -114.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -1682.522075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1682.522075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1682.522075 (E_RNA)
where:
Base-Base interactions energy: -1193.964
where: short stacking energy: -482.560
Base-Backbone interact. energy: -0.383
local terms energy: -488.174313
where:
bonds (distance) C4'-P energy: -91.091
bonds (distance) P-C4' energy: -87.056
flat angles C4'-P-C4' energy: -110.724
flat angles P-C4'-P energy: -68.184
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: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -1469.210566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.210566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.210566 (E_RNA)
where:
Base-Base interactions energy: -1035.510
where: short stacking energy: -407.465
Base-Backbone interact. energy: -2.363
local terms energy: -431.337751
where:
bonds (distance) C4'-P energy: -81.701
bonds (distance) P-C4' energy: -96.315
flat angles C4'-P-C4' energy: -101.717
flat angles P-C4'-P energy: -63.289
tors. eta vs tors. theta energy: -88.316
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: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -1430.326048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.326048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.326048 (E_RNA)
where:
Base-Base interactions energy: -986.318
where: short stacking energy: -400.455
Base-Backbone interact. energy: 1.473
local terms energy: -445.480836
where:
bonds (distance) C4'-P energy: -99.316
bonds (distance) P-C4' energy: -88.895
flat angles C4'-P-C4' energy: -105.663
flat angles P-C4'-P energy: -41.314
tors. eta vs tors. theta energy: -110.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -1376.295973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.295973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.295973 (E_RNA)
where:
Base-Base interactions energy: -940.573
where: short stacking energy: -387.115
Base-Backbone interact. energy: 4.850
local terms energy: -440.572327
where:
bonds (distance) C4'-P energy: -85.428
bonds (distance) P-C4' energy: -106.945
flat angles C4'-P-C4' energy: -95.173
flat angles P-C4'-P energy: -61.168
tors. eta vs tors. theta energy: -91.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -1084.520723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.520723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.520723 (E_RNA)
where:
Base-Base interactions energy: -731.545
where: short stacking energy: -327.938
Base-Backbone interact. energy: 0.225
local terms energy: -353.200995
where:
bonds (distance) C4'-P energy: -76.636
bonds (distance) P-C4' energy: -66.192
flat angles C4'-P-C4' energy: -87.617
flat angles P-C4'-P energy: -53.753
tors. eta vs tors. theta energy: -69.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -959.680485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.680485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.680485 (E_RNA)
where:
Base-Base interactions energy: -615.906
where: short stacking energy: -257.652
Base-Backbone interact. energy: -2.071
local terms energy: -341.703575
where:
bonds (distance) C4'-P energy: -73.251
bonds (distance) P-C4' energy: -90.848
flat angles C4'-P-C4' energy: -82.796
flat angles P-C4'-P energy: -42.124
tors. eta vs tors. theta energy: -52.685
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: 1, replica: 4
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -1969.919231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.919231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.919231 (E_RNA)
where:
Base-Base interactions energy: -1411.233
where: short stacking energy: -571.409
Base-Backbone interact. energy: 0.038
local terms energy: -558.723782
where:
bonds (distance) C4'-P energy: -107.531
bonds (distance) P-C4' energy: -100.417
flat angles C4'-P-C4' energy: -118.331
flat angles P-C4'-P energy: -76.189
tors. eta vs tors. theta energy: -156.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -1903.923035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.923035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.923035 (E_RNA)
where:
Base-Base interactions energy: -1383.474
where: short stacking energy: -557.309
Base-Backbone interact. energy: -2.910
local terms energy: -517.539043
where:
bonds (distance) C4'-P energy: -94.938
bonds (distance) P-C4' energy: -94.362
flat angles C4'-P-C4' energy: -106.138
flat angles P-C4'-P energy: -76.857
tors. eta vs tors. theta energy: -145.245
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: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -1809.803841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.803841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.803841 (E_RNA)
where:
Base-Base interactions energy: -1283.824
where: short stacking energy: -518.068
Base-Backbone interact. energy: 3.141
local terms energy: -529.120394
where:
bonds (distance) C4'-P energy: -108.518
bonds (distance) P-C4' energy: -97.424
flat angles C4'-P-C4' energy: -104.427
flat angles P-C4'-P energy: -78.040
tors. eta vs tors. theta energy: -140.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -1713.827052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.827052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.827052 (E_RNA)
where:
Base-Base interactions energy: -1211.502
where: short stacking energy: -484.783
Base-Backbone interact. energy: 3.715
local terms energy: -506.040525
where:
bonds (distance) C4'-P energy: -91.323
bonds (distance) P-C4' energy: -87.457
flat angles C4'-P-C4' energy: -113.801
flat angles P-C4'-P energy: -78.284
tors. eta vs tors. theta energy: -135.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -1647.396928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.396928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.396928 (E_RNA)
where:
Base-Base interactions energy: -1169.565
where: short stacking energy: -489.819
Base-Backbone interact. energy: 0.493
local terms energy: -478.325488
where:
bonds (distance) C4'-P energy: -87.481
bonds (distance) P-C4' energy: -79.747
flat angles C4'-P-C4' energy: -98.808
flat angles P-C4'-P energy: -71.195
tors. eta vs tors. theta energy: -141.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -1480.650475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.650475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.650475 (E_RNA)
where:
Base-Base interactions energy: -1022.966
where: short stacking energy: -420.875
Base-Backbone interact. energy: 9.654
local terms energy: -467.338005
where:
bonds (distance) C4'-P energy: -104.601
bonds (distance) P-C4' energy: -97.907
flat angles C4'-P-C4' energy: -98.642
flat angles P-C4'-P energy: -59.786
tors. eta vs tors. theta energy: -106.402
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: 9
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -1431.399381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.399381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.399381 (E_RNA)
where:
Base-Base interactions energy: -996.346
where: short stacking energy: -396.921
Base-Backbone interact. energy: 4.559
local terms energy: -439.612727
where:
bonds (distance) C4'-P energy: -89.025
bonds (distance) P-C4' energy: -94.616
flat angles C4'-P-C4' energy: -108.519
flat angles P-C4'-P energy: -54.813
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: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -1365.327779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.327779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.327779 (E_RNA)
where:
Base-Base interactions energy: -940.436
where: short stacking energy: -380.911
Base-Backbone interact. energy: -1.392
local terms energy: -423.500537
where:
bonds (distance) C4'-P energy: -93.836
bonds (distance) P-C4' energy: -89.734
flat angles C4'-P-C4' energy: -97.378
flat angles P-C4'-P energy: -62.947
tors. eta vs tors. theta energy: -79.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -1093.586380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.586380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.586380 (E_RNA)
where:
Base-Base interactions energy: -746.441
where: short stacking energy: -336.317
Base-Backbone interact. energy: 1.264
local terms energy: -348.409726
where:
bonds (distance) C4'-P energy: -78.140
bonds (distance) P-C4' energy: -71.230
flat angles C4'-P-C4' energy: -86.633
flat angles P-C4'-P energy: -43.413
tors. eta vs tors. theta energy: -68.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -992.084296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.084296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.084296 (E_RNA)
where:
Base-Base interactions energy: -662.539
where: short stacking energy: -282.210
Base-Backbone interact. energy: 3.651
local terms energy: -333.196141
where:
bonds (distance) C4'-P energy: -85.327
bonds (distance) P-C4' energy: -78.613
flat angles C4'-P-C4' energy: -66.526
flat angles P-C4'-P energy: -51.770
tors. eta vs tors. theta energy: -50.960
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: 4
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -1978.352712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.352712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.352712 (E_RNA)
where:
Base-Base interactions energy: -1401.514
where: short stacking energy: -561.360
Base-Backbone interact. energy: 1.244
local terms energy: -578.083216
where:
bonds (distance) C4'-P energy: -101.909
bonds (distance) P-C4' energy: -104.762
flat angles C4'-P-C4' energy: -128.522
flat angles P-C4'-P energy: -84.843
tors. eta vs tors. theta energy: -158.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -1859.938987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1859.938987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1859.938987 (E_RNA)
where:
Base-Base interactions energy: -1306.219
where: short stacking energy: -525.875
Base-Backbone interact. energy: -2.995
local terms energy: -550.724741
where:
bonds (distance) C4'-P energy: -99.448
bonds (distance) P-C4' energy: -101.224
flat angles C4'-P-C4' energy: -123.574
flat angles P-C4'-P energy: -83.801
tors. eta vs tors. theta energy: -142.677
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: 1
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -1813.299750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.299750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.299750 (E_RNA)
where:
Base-Base interactions energy: -1271.278
where: short stacking energy: -523.567
Base-Backbone interact. energy: -2.374
local terms energy: -539.648029
where:
bonds (distance) C4'-P energy: -92.693
bonds (distance) P-C4' energy: -112.435
flat angles C4'-P-C4' energy: -117.762
flat angles P-C4'-P energy: -67.304
tors. eta vs tors. theta energy: -149.454
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: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -1684.147092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.147092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.147092 (E_RNA)
where:
Base-Base interactions energy: -1185.162
where: short stacking energy: -491.869
Base-Backbone interact. energy: 3.017
local terms energy: -502.002171
where:
bonds (distance) C4'-P energy: -90.121
bonds (distance) P-C4' energy: -105.599
flat angles C4'-P-C4' energy: -110.010
flat angles P-C4'-P energy: -69.418
tors. eta vs tors. theta energy: -126.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -1664.423454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.423454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.423454 (E_RNA)
where:
Base-Base interactions energy: -1157.590
where: short stacking energy: -474.576
Base-Backbone interact. energy: -2.181
local terms energy: -504.652978
where:
bonds (distance) C4'-P energy: -74.206
bonds (distance) P-C4' energy: -106.884
flat angles C4'-P-C4' energy: -113.915
flat angles P-C4'-P energy: -82.195
tors. eta vs tors. theta energy: -127.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -1450.197867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.197867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.197867 (E_RNA)
where:
Base-Base interactions energy: -1028.747
where: short stacking energy: -441.215
Base-Backbone interact. energy: 4.825
local terms energy: -426.275804
where:
bonds (distance) C4'-P energy: -86.933
bonds (distance) P-C4' energy: -85.596
flat angles C4'-P-C4' energy: -90.868
flat angles P-C4'-P energy: -65.678
tors. eta vs tors. theta energy: -97.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -1445.499754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.499754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.499754 (E_RNA)
where:
Base-Base interactions energy: -1007.643
where: short stacking energy: -408.664
Base-Backbone interact. energy: -2.936
local terms energy: -434.920429
where:
bonds (distance) C4'-P energy: -89.091
bonds (distance) P-C4' energy: -84.762
flat angles C4'-P-C4' energy: -91.871
flat angles P-C4'-P energy: -57.960
tors. eta vs tors. theta energy: -111.236
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: 8, replica: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -1341.658434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.658434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.658434 (E_RNA)
where:
Base-Base interactions energy: -931.846
where: short stacking energy: -389.991
Base-Backbone interact. energy: 5.234
local terms energy: -415.046575
where:
bonds (distance) C4'-P energy: -92.990
bonds (distance) P-C4' energy: -91.538
flat angles C4'-P-C4' energy: -87.454
flat angles P-C4'-P energy: -65.881
tors. eta vs tors. theta energy: -77.185
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: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -1147.235531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.235531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.235531 (E_RNA)
where:
Base-Base interactions energy: -761.275
where: short stacking energy: -350.633
Base-Backbone interact. energy: -0.779
local terms energy: -385.181559
where:
bonds (distance) C4'-P energy: -71.896
bonds (distance) P-C4' energy: -72.180
flat angles C4'-P-C4' energy: -97.414
flat angles P-C4'-P energy: -63.029
tors. eta vs tors. theta energy: -80.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -1018.167622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1018.167622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1018.167622 (E_RNA)
where:
Base-Base interactions energy: -660.215
where: short stacking energy: -300.806
Base-Backbone interact. energy: 3.078
local terms energy: -361.030749
where:
bonds (distance) C4'-P energy: -90.187
bonds (distance) P-C4' energy: -83.350
flat angles C4'-P-C4' energy: -74.473
flat angles P-C4'-P energy: -44.511
tors. eta vs tors. theta energy: -68.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -1986.614145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.614145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.614145 (E_RNA)
where:
Base-Base interactions energy: -1406.830
where: short stacking energy: -590.869
Base-Backbone interact. energy: 1.987
local terms energy: -581.771127
where:
bonds (distance) C4'-P energy: -108.227
bonds (distance) P-C4' energy: -99.767
flat angles C4'-P-C4' energy: -130.382
flat angles P-C4'-P energy: -79.653
tors. eta vs tors. theta energy: -163.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -1863.939613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.939613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.939613 (E_RNA)
where:
Base-Base interactions energy: -1316.939
where: short stacking energy: -537.426
Base-Backbone interact. energy: -0.467
local terms energy: -546.534246
where:
bonds (distance) C4'-P energy: -107.933
bonds (distance) P-C4' energy: -98.109
flat angles C4'-P-C4' energy: -116.947
flat angles P-C4'-P energy: -76.260
tors. eta vs tors. theta energy: -147.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -1821.024995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.024995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.024995 (E_RNA)
where:
Base-Base interactions energy: -1302.779
where: short stacking energy: -532.905
Base-Backbone interact. energy: -1.141
local terms energy: -517.104955
where:
bonds (distance) C4'-P energy: -94.308
bonds (distance) P-C4' energy: -104.848
flat angles C4'-P-C4' energy: -120.069
flat angles P-C4'-P energy: -58.522
tors. eta vs tors. theta energy: -139.357
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: 4, replica: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -1684.013072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.013072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.013072 (E_RNA)
where:
Base-Base interactions energy: -1190.443
where: short stacking energy: -470.735
Base-Backbone interact. energy: -3.044
local terms energy: -490.526278
where:
bonds (distance) C4'-P energy: -89.034
bonds (distance) P-C4' energy: -104.585
flat angles C4'-P-C4' energy: -106.714
flat angles P-C4'-P energy: -69.353
tors. eta vs tors. theta energy: -120.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -1609.712365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.712365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.712365 (E_RNA)
where:
Base-Base interactions energy: -1136.610
where: short stacking energy: -482.514
Base-Backbone interact. energy: -1.431
local terms energy: -471.671576
where:
bonds (distance) C4'-P energy: -68.558
bonds (distance) P-C4' energy: -86.487
flat angles C4'-P-C4' energy: -108.573
flat angles P-C4'-P energy: -72.734
tors. eta vs tors. theta energy: -135.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -1456.895991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.895991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.895991 (E_RNA)
where:
Base-Base interactions energy: -1031.806
where: short stacking energy: -423.745
Base-Backbone interact. energy: -0.716
local terms energy: -424.374011
where:
bonds (distance) C4'-P energy: -80.587
bonds (distance) P-C4' energy: -92.323
flat angles C4'-P-C4' energy: -92.621
flat angles P-C4'-P energy: -54.968
tors. eta vs tors. theta energy: -103.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -1440.785075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.785075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.785075 (E_RNA)
where:
Base-Base interactions energy: -1006.449
where: short stacking energy: -400.225
Base-Backbone interact. energy: -0.465
local terms energy: -433.870954
where:
bonds (distance) C4'-P energy: -79.768
bonds (distance) P-C4' energy: -91.425
flat angles C4'-P-C4' energy: -102.061
flat angles P-C4'-P energy: -68.894
tors. eta vs tors. theta energy: -91.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -1317.166337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.166337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.166337 (E_RNA)
where:
Base-Base interactions energy: -899.196
where: short stacking energy: -368.052
Base-Backbone interact. energy: -0.212
local terms energy: -417.757634
where:
bonds (distance) C4'-P energy: -92.297
bonds (distance) P-C4' energy: -89.734
flat angles C4'-P-C4' energy: -83.956
flat angles P-C4'-P energy: -63.953
tors. eta vs tors. theta energy: -87.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -1149.087313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.087313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.087313 (E_RNA)
where:
Base-Base interactions energy: -781.192
where: short stacking energy: -320.936
Base-Backbone interact. energy: 0.148
local terms energy: -368.043543
where:
bonds (distance) C4'-P energy: -78.025
bonds (distance) P-C4' energy: -88.767
flat angles C4'-P-C4' energy: -73.730
flat angles P-C4'-P energy: -55.651
tors. eta vs tors. theta energy: -71.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -1012.298389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1012.298389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1012.298389 (E_RNA)
where:
Base-Base interactions energy: -673.371
where: short stacking energy: -300.097
Base-Backbone interact. energy: -2.519
local terms energy: -336.407648
where:
bonds (distance) C4'-P energy: -73.167
bonds (distance) P-C4' energy: -90.870
flat angles C4'-P-C4' energy: -83.394
flat angles P-C4'-P energy: -43.892
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: 1, replica: 4
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -1952.894651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.894651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.894651 (E_RNA)
where:
Base-Base interactions energy: -1390.619
where: short stacking energy: -570.327
Base-Backbone interact. energy: 0.276
local terms energy: -562.551124
where:
bonds (distance) C4'-P energy: -103.012
bonds (distance) P-C4' energy: -102.398
flat angles C4'-P-C4' energy: -125.121
flat angles P-C4'-P energy: -76.673
tors. eta vs tors. theta energy: -155.347
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: 2
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -1889.342723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.342723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.342723 (E_RNA)
where:
Base-Base interactions energy: -1338.669
where: short stacking energy: -534.892
Base-Backbone interact. energy: 0.449
local terms energy: -551.122370
where:
bonds (distance) C4'-P energy: -105.292
bonds (distance) P-C4' energy: -108.348
flat angles C4'-P-C4' energy: -118.453
flat angles P-C4'-P energy: -77.494
tors. eta vs tors. theta energy: -141.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -1785.313066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.313066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.313066 (E_RNA)
where:
Base-Base interactions energy: -1276.304
where: short stacking energy: -512.604
Base-Backbone interact. energy: 0.813
local terms energy: -509.822535
where:
bonds (distance) C4'-P energy: -99.267
bonds (distance) P-C4' energy: -92.256
flat angles C4'-P-C4' energy: -107.874
flat angles P-C4'-P energy: -75.360
tors. eta vs tors. theta energy: -135.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -1717.183665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.183665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.183665 (E_RNA)
where:
Base-Base interactions energy: -1211.551
where: short stacking energy: -500.657
Base-Backbone interact. energy: -0.767
local terms energy: -504.865661
where:
bonds (distance) C4'-P energy: -83.580
bonds (distance) P-C4' energy: -95.299
flat angles C4'-P-C4' energy: -116.215
flat angles P-C4'-P energy: -75.719
tors. eta vs tors. theta energy: -134.053
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: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -1650.112909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.112909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.112909 (E_RNA)
where:
Base-Base interactions energy: -1165.464
where: short stacking energy: -467.639
Base-Backbone interact. energy: 1.913
local terms energy: -486.561265
where:
bonds (distance) C4'-P energy: -85.856
bonds (distance) P-C4' energy: -91.237
flat angles C4'-P-C4' energy: -106.660
flat angles P-C4'-P energy: -73.785
tors. eta vs tors. theta energy: -129.022
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: 6, replica: 5
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -1492.781267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.781267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.781267 (E_RNA)
where:
Base-Base interactions energy: -1050.988
where: short stacking energy: -425.920
Base-Backbone interact. energy: -1.752
local terms energy: -440.041544
where:
bonds (distance) C4'-P energy: -91.690
bonds (distance) P-C4' energy: -84.849
flat angles C4'-P-C4' energy: -93.152
flat angles P-C4'-P energy: -66.450
tors. eta vs tors. theta energy: -103.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -1417.268980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.268980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.268980 (E_RNA)
where:
Base-Base interactions energy: -971.485
where: short stacking energy: -395.039
Base-Backbone interact. energy: -1.249
local terms energy: -444.535636
where:
bonds (distance) C4'-P energy: -84.534
bonds (distance) P-C4' energy: -94.365
flat angles C4'-P-C4' energy: -109.152
flat angles P-C4'-P energy: -61.474
tors. eta vs tors. theta energy: -95.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -1327.434120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.434120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.434120 (E_RNA)
where:
Base-Base interactions energy: -899.914
where: short stacking energy: -375.271
Base-Backbone interact. energy: -1.625
local terms energy: -425.895670
where:
bonds (distance) C4'-P energy: -89.510
bonds (distance) P-C4' energy: -85.073
flat angles C4'-P-C4' energy: -98.009
flat angles P-C4'-P energy: -63.197
tors. eta vs tors. theta energy: -90.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -1147.252607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.252607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.252607 (E_RNA)
where:
Base-Base interactions energy: -773.034
where: short stacking energy: -327.822
Base-Backbone interact. energy: -1.738
local terms energy: -372.479916
where:
bonds (distance) C4'-P energy: -78.907
bonds (distance) P-C4' energy: -84.271
flat angles C4'-P-C4' energy: -76.905
flat angles P-C4'-P energy: -68.964
tors. eta vs tors. theta energy: -63.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -1019.697671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1019.697671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1019.697671 (E_RNA)
where:
Base-Base interactions energy: -679.343
where: short stacking energy: -299.414
Base-Backbone interact. energy: 0.909
local terms energy: -341.263860
where:
bonds (distance) C4'-P energy: -76.521
bonds (distance) P-C4' energy: -76.792
flat angles C4'-P-C4' energy: -82.295
flat angles P-C4'-P energy: -46.195
tors. eta vs tors. theta energy: -59.461
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: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -1978.480821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1978.480821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1978.480821 (E_RNA)
where:
Base-Base interactions energy: -1419.213
where: short stacking energy: -559.023
Base-Backbone interact. energy: -1.642
local terms energy: -557.625753
where:
bonds (distance) C4'-P energy: -112.898
bonds (distance) P-C4' energy: -95.098
flat angles C4'-P-C4' energy: -125.564
flat angles P-C4'-P energy: -72.167
tors. eta vs tors. theta energy: -151.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -1890.505454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.505454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.505454 (E_RNA)
where:
Base-Base interactions energy: -1348.026
where: short stacking energy: -541.844
Base-Backbone interact. energy: -1.552
local terms energy: -540.927180
where:
bonds (distance) C4'-P energy: -107.003
bonds (distance) P-C4' energy: -87.900
flat angles C4'-P-C4' energy: -121.288
flat angles P-C4'-P energy: -79.013
tors. eta vs tors. theta energy: -145.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -1820.674038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.674038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.674038 (E_RNA)
where:
Base-Base interactions energy: -1292.885
where: short stacking energy: -521.114
Base-Backbone interact. energy: -1.628
local terms energy: -526.161500
where:
bonds (distance) C4'-P energy: -101.239
bonds (distance) P-C4' energy: -94.554
flat angles C4'-P-C4' energy: -110.560
flat angles P-C4'-P energy: -76.783
tors. eta vs tors. theta energy: -143.026
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: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -1718.958214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.958214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.958214 (E_RNA)
where:
Base-Base interactions energy: -1225.503
where: short stacking energy: -511.019
Base-Backbone interact. energy: -0.091
local terms energy: -493.364303
where:
bonds (distance) C4'-P energy: -102.203
bonds (distance) P-C4' energy: -74.853
flat angles C4'-P-C4' energy: -105.821
flat angles P-C4'-P energy: -81.716
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: 5, replica: 3
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -1700.881728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.881728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.881728 (E_RNA)
where:
Base-Base interactions energy: -1214.223
where: short stacking energy: -497.947
Base-Backbone interact. energy: -1.896
local terms energy: -484.762753
where:
bonds (distance) C4'-P energy: -101.182
bonds (distance) P-C4' energy: -89.629
flat angles C4'-P-C4' energy: -104.730
flat angles P-C4'-P energy: -59.049
tors. eta vs tors. theta energy: -130.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -1491.110387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.110387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.110387 (E_RNA)
where:
Base-Base interactions energy: -1041.202
where: short stacking energy: -412.752
Base-Backbone interact. energy: -1.851
local terms energy: -448.057312
where:
bonds (distance) C4'-P energy: -92.529
bonds (distance) P-C4' energy: -98.247
flat angles C4'-P-C4' energy: -97.657
flat angles P-C4'-P energy: -64.120
tors. eta vs tors. theta energy: -95.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -1440.117082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.117082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.117082 (E_RNA)
where:
Base-Base interactions energy: -979.863
where: short stacking energy: -428.813
Base-Backbone interact. energy: -0.005
local terms energy: -460.249423
where:
bonds (distance) C4'-P energy: -97.752
bonds (distance) P-C4' energy: -93.104
flat angles C4'-P-C4' energy: -91.072
flat angles P-C4'-P energy: -61.848
tors. eta vs tors. theta energy: -116.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -1317.470363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.470363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.470363 (E_RNA)
where:
Base-Base interactions energy: -921.155
where: short stacking energy: -381.654
Base-Backbone interact. energy: -2.036
local terms energy: -394.279404
where:
bonds (distance) C4'-P energy: -67.018
bonds (distance) P-C4' energy: -95.618
flat angles C4'-P-C4' energy: -96.514
flat angles P-C4'-P energy: -49.581
tors. eta vs tors. theta energy: -85.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -1127.834709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.834709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.834709 (E_RNA)
where:
Base-Base interactions energy: -738.843
where: short stacking energy: -314.609
Base-Backbone interact. energy: -1.037
local terms energy: -387.954382
where:
bonds (distance) C4'-P energy: -77.814
bonds (distance) P-C4' energy: -90.291
flat angles C4'-P-C4' energy: -82.583
flat angles P-C4'-P energy: -68.152
tors. eta vs tors. theta energy: -69.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -972.956621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -972.956621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -972.956621 (E_RNA)
where:
Base-Base interactions energy: -640.070
where: short stacking energy: -270.341
Base-Backbone interact. energy: -0.538
local terms energy: -332.348706
where:
bonds (distance) C4'-P energy: -80.701
bonds (distance) P-C4' energy: -96.781
flat angles C4'-P-C4' energy: -67.175
flat angles P-C4'-P energy: -43.137
tors. eta vs tors. theta energy: -44.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -1964.146891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.146891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.146891 (E_RNA)
where:
Base-Base interactions energy: -1400.758
where: short stacking energy: -546.901
Base-Backbone interact. energy: -2.664
local terms energy: -560.723962
where:
bonds (distance) C4'-P energy: -91.964
bonds (distance) P-C4' energy: -109.425
flat angles C4'-P-C4' energy: -123.850
flat angles P-C4'-P energy: -76.874
tors. eta vs tors. theta energy: -158.611
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: 2, replica: 2
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -1872.389863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.389863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.389863 (E_RNA)
where:
Base-Base interactions energy: -1337.622
where: short stacking energy: -532.103
Base-Backbone interact. energy: -0.378
local terms energy: -534.389024
where:
bonds (distance) C4'-P energy: -94.737
bonds (distance) P-C4' energy: -111.252
flat angles C4'-P-C4' energy: -108.802
flat angles P-C4'-P energy: -74.874
tors. eta vs tors. theta energy: -144.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -1816.932270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.932270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.932270 (E_RNA)
where:
Base-Base interactions energy: -1280.859
where: short stacking energy: -514.461
Base-Backbone interact. energy: -1.418
local terms energy: -534.655635
where:
bonds (distance) C4'-P energy: -108.078
bonds (distance) P-C4' energy: -91.020
flat angles C4'-P-C4' energy: -105.845
flat angles P-C4'-P energy: -82.233
tors. eta vs tors. theta energy: -147.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -1724.428664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.428664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.428664 (E_RNA)
where:
Base-Base interactions energy: -1235.184
where: short stacking energy: -505.689
Base-Backbone interact. energy: -1.143
local terms energy: -488.101913
where:
bonds (distance) C4'-P energy: -85.033
bonds (distance) P-C4' energy: -97.163
flat angles C4'-P-C4' energy: -108.054
flat angles P-C4'-P energy: -80.354
tors. eta vs tors. theta energy: -117.498
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: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -1693.844027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.844027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.844027 (E_RNA)
where:
Base-Base interactions energy: -1201.835
where: short stacking energy: -485.293
Base-Backbone interact. energy: -4.187
local terms energy: -487.822044
where:
bonds (distance) C4'-P energy: -96.185
bonds (distance) P-C4' energy: -86.684
flat angles C4'-P-C4' energy: -101.525
flat angles P-C4'-P energy: -70.772
tors. eta vs tors. theta energy: -132.657
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: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -1523.810345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.810345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.810345 (E_RNA)
where:
Base-Base interactions energy: -1054.627
where: short stacking energy: -450.808
Base-Backbone interact. energy: -1.489
local terms energy: -467.694419
where:
bonds (distance) C4'-P energy: -85.475
bonds (distance) P-C4' energy: -84.888
flat angles C4'-P-C4' energy: -105.336
flat angles P-C4'-P energy: -69.802
tors. eta vs tors. theta energy: -122.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -1436.107624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.107624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.107624 (E_RNA)
where:
Base-Base interactions energy: -997.081
where: short stacking energy: -387.381
Base-Backbone interact. energy: -0.079
local terms energy: -438.947101
where:
bonds (distance) C4'-P energy: -93.222
bonds (distance) P-C4' energy: -81.775
flat angles C4'-P-C4' energy: -95.642
flat angles P-C4'-P energy: -78.497
tors. eta vs tors. theta energy: -89.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -1232.275846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.275846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.275846 (E_RNA)
where:
Base-Base interactions energy: -834.807
where: short stacking energy: -372.098
Base-Backbone interact. energy: 3.782
local terms energy: -401.251117
where:
bonds (distance) C4'-P energy: -85.805
bonds (distance) P-C4' energy: -94.379
flat angles C4'-P-C4' energy: -89.315
flat angles P-C4'-P energy: -53.928
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: 7
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -1249.091263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.091263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.091263 (E_RNA)
where:
Base-Base interactions energy: -851.210
where: short stacking energy: -358.603
Base-Backbone interact. energy: -2.331
local terms energy: -395.550585
where:
bonds (distance) C4'-P energy: -73.357
bonds (distance) P-C4' energy: -88.587
flat angles C4'-P-C4' energy: -83.990
flat angles P-C4'-P energy: -67.296
tors. eta vs tors. theta energy: -82.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -1034.545996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.545996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.545996 (E_RNA)
where:
Base-Base interactions energy: -694.543
where: short stacking energy: -314.042
Base-Backbone interact. energy: 1.021
local terms energy: -341.023685
where:
bonds (distance) C4'-P energy: -64.166
bonds (distance) P-C4' energy: -93.271
flat angles C4'-P-C4' energy: -62.940
flat angles P-C4'-P energy: -57.060
tors. eta vs tors. theta energy: -63.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -1959.641171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.641171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.641171 (E_RNA)
where:
Base-Base interactions energy: -1395.069
where: short stacking energy: -545.714
Base-Backbone interact. energy: 0.952
local terms energy: -565.524446
where:
bonds (distance) C4'-P energy: -104.458
bonds (distance) P-C4' energy: -114.184
flat angles C4'-P-C4' energy: -106.093
flat angles P-C4'-P energy: -88.515
tors. eta vs tors. theta energy: -152.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -1858.509296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.509296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.509296 (E_RNA)
where:
Base-Base interactions energy: -1332.336
where: short stacking energy: -536.905
Base-Backbone interact. energy: -2.089
local terms energy: -524.084721
where:
bonds (distance) C4'-P energy: -97.128
bonds (distance) P-C4' energy: -96.134
flat angles C4'-P-C4' energy: -107.345
flat angles P-C4'-P energy: -75.214
tors. eta vs tors. theta energy: -148.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -1821.777070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.777070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.777070 (E_RNA)
where:
Base-Base interactions energy: -1271.473
where: short stacking energy: -523.857
Base-Backbone interact. energy: -3.521
local terms energy: -546.782801
where:
bonds (distance) C4'-P energy: -99.419
bonds (distance) P-C4' energy: -107.166
flat angles C4'-P-C4' energy: -120.146
flat angles P-C4'-P energy: -74.076
tors. eta vs tors. theta energy: -145.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -1671.639636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.639636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.639636 (E_RNA)
where:
Base-Base interactions energy: -1196.516
where: short stacking energy: -459.288
Base-Backbone interact. energy: -1.851
local terms energy: -473.272667
where:
bonds (distance) C4'-P energy: -91.470
bonds (distance) P-C4' energy: -93.857
flat angles C4'-P-C4' energy: -99.031
flat angles P-C4'-P energy: -63.649
tors. eta vs tors. theta energy: -125.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -1641.422294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.422294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.422294 (E_RNA)
where:
Base-Base interactions energy: -1152.252
where: short stacking energy: -481.941
Base-Backbone interact. energy: -2.654
local terms energy: -486.515787
where:
bonds (distance) C4'-P energy: -82.779
bonds (distance) P-C4' energy: -94.625
flat angles C4'-P-C4' energy: -104.594
flat angles P-C4'-P energy: -65.932
tors. eta vs tors. theta energy: -138.585
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: 6, replica: 9
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -1527.980154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1527.980154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1527.980154 (E_RNA)
where:
Base-Base interactions energy: -1066.529
where: short stacking energy: -432.856
Base-Backbone interact. energy: -2.061
local terms energy: -459.390208
where:
bonds (distance) C4'-P energy: -76.895
bonds (distance) P-C4' energy: -95.770
flat angles C4'-P-C4' energy: -94.153
flat angles P-C4'-P energy: -65.326
tors. eta vs tors. theta energy: -127.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -1422.533977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.533977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.533977 (E_RNA)
where:
Base-Base interactions energy: -989.614
where: short stacking energy: -403.837
Base-Backbone interact. energy: -0.814
local terms energy: -432.105470
where:
bonds (distance) C4'-P energy: -89.099
bonds (distance) P-C4' energy: -91.523
flat angles C4'-P-C4' energy: -97.439
flat angles P-C4'-P energy: -47.139
tors. eta vs tors. theta energy: -106.905
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: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -1220.476339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.476339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.476339 (E_RNA)
where:
Base-Base interactions energy: -836.677
where: short stacking energy: -369.704
Base-Backbone interact. energy: 4.559
local terms energy: -388.358209
where:
bonds (distance) C4'-P energy: -72.870
bonds (distance) P-C4' energy: -89.162
flat angles C4'-P-C4' energy: -92.953
flat angles P-C4'-P energy: -61.527
tors. eta vs tors. theta energy: -71.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -1296.187533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.187533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.187533 (E_RNA)
where:
Base-Base interactions energy: -895.605
where: short stacking energy: -373.972
Base-Backbone interact. energy: 3.209
local terms energy: -403.791728
where:
bonds (distance) C4'-P energy: -78.603
bonds (distance) P-C4' energy: -98.097
flat angles C4'-P-C4' energy: -81.490
flat angles P-C4'-P energy: -67.410
tors. eta vs tors. theta energy: -78.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -1021.137427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1021.137427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1021.137427 (E_RNA)
where:
Base-Base interactions energy: -672.489
where: short stacking energy: -284.202
Base-Backbone interact. energy: -4.105
local terms energy: -344.543436
where:
bonds (distance) C4'-P energy: -76.699
bonds (distance) P-C4' energy: -81.416
flat angles C4'-P-C4' energy: -87.237
flat angles P-C4'-P energy: -45.724
tors. eta vs tors. theta energy: -53.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -1968.385707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.385707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.385707 (E_RNA)
where:
Base-Base interactions energy: -1411.041
where: short stacking energy: -564.185
Base-Backbone interact. energy: -1.001
local terms energy: -556.343424
where:
bonds (distance) C4'-P energy: -94.760
bonds (distance) P-C4' energy: -113.899
flat angles C4'-P-C4' energy: -116.818
flat angles P-C4'-P energy: -79.270
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: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -1880.325333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.325333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.325333 (E_RNA)
where:
Base-Base interactions energy: -1315.319
where: short stacking energy: -536.749
Base-Backbone interact. energy: -2.947
local terms energy: -562.059636
where:
bonds (distance) C4'-P energy: -100.884
bonds (distance) P-C4' energy: -107.990
flat angles C4'-P-C4' energy: -120.781
flat angles P-C4'-P energy: -82.020
tors. eta vs tors. theta energy: -150.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -1813.769672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.769672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.769672 (E_RNA)
where:
Base-Base interactions energy: -1293.200
where: short stacking energy: -531.829
Base-Backbone interact. energy: -2.921
local terms energy: -517.648096
where:
bonds (distance) C4'-P energy: -90.349
bonds (distance) P-C4' energy: -108.305
flat angles C4'-P-C4' energy: -110.463
flat angles P-C4'-P energy: -65.337
tors. eta vs tors. theta energy: -143.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -1704.956340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.956340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.956340 (E_RNA)
where:
Base-Base interactions energy: -1214.740
where: short stacking energy: -477.214
Base-Backbone interact. energy: -1.065
local terms energy: -489.150757
where:
bonds (distance) C4'-P energy: -100.588
bonds (distance) P-C4' energy: -96.395
flat angles C4'-P-C4' energy: -101.309
flat angles P-C4'-P energy: -71.926
tors. eta vs tors. theta energy: -118.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -1650.096021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.096021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.096021 (E_RNA)
where:
Base-Base interactions energy: -1170.428
where: short stacking energy: -491.684
Base-Backbone interact. energy: -2.765
local terms energy: -476.902763
where:
bonds (distance) C4'-P energy: -100.490
bonds (distance) P-C4' energy: -80.554
flat angles C4'-P-C4' energy: -105.594
flat angles P-C4'-P energy: -60.095
tors. eta vs tors. theta energy: -130.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -1496.934669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.934669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.934669 (E_RNA)
where:
Base-Base interactions energy: -1042.489
where: short stacking energy: -450.120
Base-Backbone interact. energy: -1.164
local terms energy: -453.281176
where:
bonds (distance) C4'-P energy: -76.390
bonds (distance) P-C4' energy: -102.129
flat angles C4'-P-C4' energy: -90.614
flat angles P-C4'-P energy: -67.000
tors. eta vs tors. theta energy: -117.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -1437.003560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.003560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.003560 (E_RNA)
where:
Base-Base interactions energy: -1005.914
where: short stacking energy: -409.375
Base-Backbone interact. energy: -1.935
local terms energy: -429.154950
where:
bonds (distance) C4'-P energy: -94.390
bonds (distance) P-C4' energy: -94.644
flat angles C4'-P-C4' energy: -98.360
flat angles P-C4'-P energy: -52.517
tors. eta vs tors. theta energy: -89.244
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: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -1242.641759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1242.641759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1242.641759 (E_RNA)
where:
Base-Base interactions energy: -839.657
where: short stacking energy: -333.716
Base-Backbone interact. energy: -0.751
local terms energy: -402.233795
where:
bonds (distance) C4'-P energy: -94.909
bonds (distance) P-C4' energy: -84.342
flat angles C4'-P-C4' energy: -99.900
flat angles P-C4'-P energy: -61.133
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: 7
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -1155.408276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.408276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.408276 (E_RNA)
where:
Base-Base interactions energy: -764.005
where: short stacking energy: -342.941
Base-Backbone interact. energy: -0.368
local terms energy: -391.035441
where:
bonds (distance) C4'-P energy: -74.675
bonds (distance) P-C4' energy: -101.100
flat angles C4'-P-C4' energy: -94.857
flat angles P-C4'-P energy: -47.844
tors. eta vs tors. theta energy: -72.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -1035.405257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.405257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.405257 (E_RNA)
where:
Base-Base interactions energy: -673.932
where: short stacking energy: -299.999
Base-Backbone interact. energy: 1.525
local terms energy: -362.998458
where:
bonds (distance) C4'-P energy: -75.864
bonds (distance) P-C4' energy: -104.804
flat angles C4'-P-C4' energy: -85.574
flat angles P-C4'-P energy: -48.313
tors. eta vs tors. theta energy: -48.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -1974.054738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.054738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.054738 (E_RNA)
where:
Base-Base interactions energy: -1403.295
where: short stacking energy: -564.380
Base-Backbone interact. energy: -2.377
local terms energy: -568.382671
where:
bonds (distance) C4'-P energy: -106.757
bonds (distance) P-C4' energy: -103.620
flat angles C4'-P-C4' energy: -121.254
flat angles P-C4'-P energy: -82.781
tors. eta vs tors. theta energy: -153.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -1871.926108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.926108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.926108 (E_RNA)
where:
Base-Base interactions energy: -1341.113
where: short stacking energy: -531.063
Base-Backbone interact. energy: -4.070
local terms energy: -526.743243
where:
bonds (distance) C4'-P energy: -101.907
bonds (distance) P-C4' energy: -99.089
flat angles C4'-P-C4' energy: -116.274
flat angles P-C4'-P energy: -63.836
tors. eta vs tors. theta energy: -145.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -1834.451242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.451242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.451242 (E_RNA)
where:
Base-Base interactions energy: -1296.909
where: short stacking energy: -528.401
Base-Backbone interact. energy: -1.191
local terms energy: -536.351530
where:
bonds (distance) C4'-P energy: -99.787
bonds (distance) P-C4' energy: -84.272
flat angles C4'-P-C4' energy: -123.718
flat angles P-C4'-P energy: -85.411
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: 4, replica: 8
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -1735.046589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.046589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.046589 (E_RNA)
where:
Base-Base interactions energy: -1206.198
where: short stacking energy: -500.143
Base-Backbone interact. energy: -2.786
local terms energy: -526.062677
where:
bonds (distance) C4'-P energy: -97.191
bonds (distance) P-C4' energy: -113.473
flat angles C4'-P-C4' energy: -106.430
flat angles P-C4'-P energy: -65.398
tors. eta vs tors. theta energy: -143.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -1660.773441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.773441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.773441 (E_RNA)
where:
Base-Base interactions energy: -1186.289
where: short stacking energy: -456.554
Base-Backbone interact. energy: 13.001
local terms energy: -487.484927
where:
bonds (distance) C4'-P energy: -98.031
bonds (distance) P-C4' energy: -95.653
flat angles C4'-P-C4' energy: -107.173
flat angles P-C4'-P energy: -74.904
tors. eta vs tors. theta energy: -111.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -1528.245743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.245743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.245743 (E_RNA)
where:
Base-Base interactions energy: -1074.514
where: short stacking energy: -454.773
Base-Backbone interact. energy: -2.502
local terms energy: -451.229197
where:
bonds (distance) C4'-P energy: -75.169
bonds (distance) P-C4' energy: -92.580
flat angles C4'-P-C4' energy: -103.026
flat angles P-C4'-P energy: -59.772
tors. eta vs tors. theta energy: -120.681
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: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -1476.808793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.808793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.808793 (E_RNA)
where:
Base-Base interactions energy: -1024.744
where: short stacking energy: -433.309
Base-Backbone interact. energy: -1.617
local terms energy: -450.448131
where:
bonds (distance) C4'-P energy: -85.791
bonds (distance) P-C4' energy: -92.225
flat angles C4'-P-C4' energy: -103.263
flat angles P-C4'-P energy: -61.269
tors. eta vs tors. theta energy: -107.901
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: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -1201.684173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.684173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.684173 (E_RNA)
where:
Base-Base interactions energy: -811.391
where: short stacking energy: -360.786
Base-Backbone interact. energy: 0.928
local terms energy: -391.221983
where:
bonds (distance) C4'-P energy: -71.168
bonds (distance) P-C4' energy: -86.511
flat angles C4'-P-C4' energy: -93.414
flat angles P-C4'-P energy: -62.564
tors. eta vs tors. theta energy: -77.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -1120.731385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.731385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.731385 (E_RNA)
where:
Base-Base interactions energy: -734.978
where: short stacking energy: -306.075
Base-Backbone interact. energy: -1.372
local terms energy: -384.381731
where:
bonds (distance) C4'-P energy: -88.620
bonds (distance) P-C4' energy: -96.886
flat angles C4'-P-C4' energy: -91.999
flat angles P-C4'-P energy: -46.931
tors. eta vs tors. theta energy: -59.946
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: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -1052.773616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.773616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.773616 (E_RNA)
where:
Base-Base interactions energy: -696.127
where: short stacking energy: -299.713
Base-Backbone interact. energy: -2.044
local terms energy: -354.602274
where:
bonds (distance) C4'-P energy: -85.853
bonds (distance) P-C4' energy: -93.698
flat angles C4'-P-C4' energy: -80.746
flat angles P-C4'-P energy: -36.770
tors. eta vs tors. theta energy: -57.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -1937.775590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.775590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.775590 (E_RNA)
where:
Base-Base interactions energy: -1380.828
where: short stacking energy: -575.692
Base-Backbone interact. energy: -4.513
local terms energy: -552.434033
where:
bonds (distance) C4'-P energy: -99.684
bonds (distance) P-C4' energy: -104.556
flat angles C4'-P-C4' energy: -116.082
flat angles P-C4'-P energy: -74.065
tors. eta vs tors. theta energy: -158.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -1911.783804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.783804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.783804 (E_RNA)
where:
Base-Base interactions energy: -1360.207
where: short stacking energy: -560.122
Base-Backbone interact. energy: -3.657
local terms energy: -547.919644
where:
bonds (distance) C4'-P energy: -104.335
bonds (distance) P-C4' energy: -94.442
flat angles C4'-P-C4' energy: -111.724
flat angles P-C4'-P energy: -80.222
tors. eta vs tors. theta energy: -157.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -1833.579996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.579996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.579996 (E_RNA)
where:
Base-Base interactions energy: -1306.442
where: short stacking energy: -520.566
Base-Backbone interact. energy: -0.574
local terms energy: -526.564802
where:
bonds (distance) C4'-P energy: -73.302
bonds (distance) P-C4' energy: -102.246
flat angles C4'-P-C4' energy: -109.694
flat angles P-C4'-P energy: -96.018
tors. eta vs tors. theta energy: -145.305
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: 3
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -1729.733504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.733504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.733504 (E_RNA)
where:
Base-Base interactions energy: -1225.948
where: short stacking energy: -502.808
Base-Backbone interact. energy: -1.609
local terms energy: -502.176396
where:
bonds (distance) C4'-P energy: -85.938
bonds (distance) P-C4' energy: -82.602
flat angles C4'-P-C4' energy: -108.397
flat angles P-C4'-P energy: -77.482
tors. eta vs tors. theta energy: -147.758
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: 8
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -1698.614852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.614852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.614852 (E_RNA)
where:
Base-Base interactions energy: -1218.365
where: short stacking energy: -479.381
Base-Backbone interact. energy: 1.625
local terms energy: -481.875321
where:
bonds (distance) C4'-P energy: -85.439
bonds (distance) P-C4' energy: -85.137
flat angles C4'-P-C4' energy: -103.013
flat angles P-C4'-P energy: -72.017
tors. eta vs tors. theta energy: -136.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -1548.124613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.124613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.124613 (E_RNA)
where:
Base-Base interactions energy: -1061.474
where: short stacking energy: -459.356
Base-Backbone interact. energy: -0.608
local terms energy: -486.042852
where:
bonds (distance) C4'-P energy: -84.667
bonds (distance) P-C4' energy: -107.750
flat angles C4'-P-C4' energy: -105.469
flat angles P-C4'-P energy: -64.157
tors. eta vs tors. theta energy: -124.000
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: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -1439.238891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.238891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.238891 (E_RNA)
where:
Base-Base interactions energy: -1024.837
where: short stacking energy: -420.831
Base-Backbone interact. energy: 3.633
local terms energy: -418.034457
where:
bonds (distance) C4'-P energy: -79.653
bonds (distance) P-C4' energy: -59.828
flat angles C4'-P-C4' energy: -104.684
flat angles P-C4'-P energy: -66.440
tors. eta vs tors. theta energy: -107.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -1249.900028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.900028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.900028 (E_RNA)
where:
Base-Base interactions energy: -848.149
where: short stacking energy: -372.818
Base-Backbone interact. energy: -3.499
local terms energy: -398.252833
where:
bonds (distance) C4'-P energy: -73.199
bonds (distance) P-C4' energy: -87.252
flat angles C4'-P-C4' energy: -81.144
flat angles P-C4'-P energy: -73.594
tors. eta vs tors. theta energy: -83.064
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: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -1215.818732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.818732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.818732 (E_RNA)
where:
Base-Base interactions energy: -822.894
where: short stacking energy: -328.651
Base-Backbone interact. energy: -0.430
local terms energy: -392.494825
where:
bonds (distance) C4'-P energy: -77.132
bonds (distance) P-C4' energy: -93.833
flat angles C4'-P-C4' energy: -103.930
flat angles P-C4'-P energy: -58.302
tors. eta vs tors. theta energy: -59.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -1084.646478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.646478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.646478 (E_RNA)
where:
Base-Base interactions energy: -733.208
where: short stacking energy: -315.144
Base-Backbone interact. energy: -1.580
local terms energy: -349.858921
where:
bonds (distance) C4'-P energy: -84.114
bonds (distance) P-C4' energy: -62.758
flat angles C4'-P-C4' energy: -90.173
flat angles P-C4'-P energy: -45.569
tors. eta vs tors. theta energy: -67.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -1941.840338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.840338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.840338 (E_RNA)
where:
Base-Base interactions energy: -1400.382
where: short stacking energy: -560.034
Base-Backbone interact. energy: 8.676
local terms energy: -550.134120
where:
bonds (distance) C4'-P energy: -98.606
bonds (distance) P-C4' energy: -103.134
flat angles C4'-P-C4' energy: -107.406
flat angles P-C4'-P energy: -86.301
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: 2, replica: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -1874.724933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.724933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.724933 (E_RNA)
where:
Base-Base interactions energy: -1339.631
where: short stacking energy: -533.469
Base-Backbone interact. energy: -5.475
local terms energy: -529.618748
where:
bonds (distance) C4'-P energy: -102.293
bonds (distance) P-C4' energy: -98.188
flat angles C4'-P-C4' energy: -105.648
flat angles P-C4'-P energy: -77.219
tors. eta vs tors. theta energy: -146.271
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: 162
Temperature: 1.000000
Total energy: -1813.675550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.675550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.675550 (E_RNA)
where:
Base-Base interactions energy: -1296.501
where: short stacking energy: -535.502
Base-Backbone interact. energy: -1.823
local terms energy: -515.351171
where:
bonds (distance) C4'-P energy: -94.572
bonds (distance) P-C4' energy: -95.168
flat angles C4'-P-C4' energy: -110.345
flat angles P-C4'-P energy: -72.277
tors. eta vs tors. theta energy: -142.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -1707.078818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.078818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.078818 (E_RNA)
where:
Base-Base interactions energy: -1188.325
where: short stacking energy: -469.585
Base-Backbone interact. energy: -2.140
local terms energy: -516.613453
where:
bonds (distance) C4'-P energy: -104.220
bonds (distance) P-C4' energy: -101.838
flat angles C4'-P-C4' energy: -109.467
flat angles P-C4'-P energy: -77.174
tors. eta vs tors. theta energy: -123.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -1663.929652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.929652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.929652 (E_RNA)
where:
Base-Base interactions energy: -1174.474
where: short stacking energy: -487.057
Base-Backbone interact. energy: -2.207
local terms energy: -487.248969
where:
bonds (distance) C4'-P energy: -88.007
bonds (distance) P-C4' energy: -88.805
flat angles C4'-P-C4' energy: -104.742
flat angles P-C4'-P energy: -77.180
tors. eta vs tors. theta energy: -128.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -1548.069515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.069515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.069515 (E_RNA)
where:
Base-Base interactions energy: -1086.204
where: short stacking energy: -467.973
Base-Backbone interact. energy: -1.866
local terms energy: -459.999832
where:
bonds (distance) C4'-P energy: -71.248
bonds (distance) P-C4' energy: -98.666
flat angles C4'-P-C4' energy: -94.456
flat angles P-C4'-P energy: -74.338
tors. eta vs tors. theta energy: -121.292
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: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -1377.354627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.354627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.354627 (E_RNA)
where:
Base-Base interactions energy: -945.206
where: short stacking energy: -383.180
Base-Backbone interact. energy: -0.263
local terms energy: -431.885928
where:
bonds (distance) C4'-P energy: -74.777
bonds (distance) P-C4' energy: -108.493
flat angles C4'-P-C4' energy: -106.705
flat angles P-C4'-P energy: -57.750
tors. eta vs tors. theta energy: -84.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -1349.511949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.511949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.511949 (E_RNA)
where:
Base-Base interactions energy: -914.348
where: short stacking energy: -359.732
Base-Backbone interact. energy: -1.800
local terms energy: -433.363625
where:
bonds (distance) C4'-P energy: -82.964
bonds (distance) P-C4' energy: -95.776
flat angles C4'-P-C4' energy: -98.633
flat angles P-C4'-P energy: -66.393
tors. eta vs tors. theta energy: -89.597
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: 7
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -1208.105991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.105991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.105991 (E_RNA)
where:
Base-Base interactions energy: -827.211
where: short stacking energy: -336.436
Base-Backbone interact. energy: -1.154
local terms energy: -379.741731
where:
bonds (distance) C4'-P energy: -80.886
bonds (distance) P-C4' energy: -86.076
flat angles C4'-P-C4' energy: -81.772
flat angles P-C4'-P energy: -51.428
tors. eta vs tors. theta energy: -79.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -1059.108862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.108862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.108862 (E_RNA)
where:
Base-Base interactions energy: -690.098
where: short stacking energy: -268.320
Base-Backbone interact. energy: 0.716
local terms energy: -369.726768
where:
bonds (distance) C4'-P energy: -85.839
bonds (distance) P-C4' energy: -109.126
flat angles C4'-P-C4' energy: -79.821
flat angles P-C4'-P energy: -47.056
tors. eta vs tors. theta energy: -47.885
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: 1, replica: 4
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -1940.450869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.450869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.450869 (E_RNA)
where:
Base-Base interactions energy: -1381.242
where: short stacking energy: -573.336
Base-Backbone interact. energy: -2.055
local terms energy: -557.153778
where:
bonds (distance) C4'-P energy: -94.652
bonds (distance) P-C4' energy: -93.009
flat angles C4'-P-C4' energy: -116.693
flat angles P-C4'-P energy: -91.913
tors. eta vs tors. theta energy: -160.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -1886.417611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.417611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.417611 (E_RNA)
where:
Base-Base interactions energy: -1330.087
where: short stacking energy: -549.798
Base-Backbone interact. energy: -0.824
local terms energy: -555.507021
where:
bonds (distance) C4'-P energy: -100.172
bonds (distance) P-C4' energy: -109.077
flat angles C4'-P-C4' energy: -121.291
flat angles P-C4'-P energy: -68.450
tors. eta vs tors. theta energy: -156.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -1839.310934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.310934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.310934 (E_RNA)
where:
Base-Base interactions energy: -1322.097
where: short stacking energy: -518.506
Base-Backbone interact. energy: -1.633
local terms energy: -515.581606
where:
bonds (distance) C4'-P energy: -96.180
bonds (distance) P-C4' energy: -86.216
flat angles C4'-P-C4' energy: -117.292
flat angles P-C4'-P energy: -76.080
tors. eta vs tors. theta energy: -139.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -1712.370417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.370417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.370417 (E_RNA)
where:
Base-Base interactions energy: -1211.054
where: short stacking energy: -477.900
Base-Backbone interact. energy: -2.438
local terms energy: -498.878545
where:
bonds (distance) C4'-P energy: -84.530
bonds (distance) P-C4' energy: -95.507
flat angles C4'-P-C4' energy: -110.932
flat angles P-C4'-P energy: -77.844
tors. eta vs tors. theta energy: -130.064
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: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -1622.674940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.674940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.674940 (E_RNA)
where:
Base-Base interactions energy: -1151.844
where: short stacking energy: -454.797
Base-Backbone interact. energy: 2.344
local terms energy: -473.174769
where:
bonds (distance) C4'-P energy: -86.687
bonds (distance) P-C4' energy: -110.609
flat angles C4'-P-C4' energy: -98.560
flat angles P-C4'-P energy: -54.134
tors. eta vs tors. theta energy: -123.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -1567.433832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.433832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.433832 (E_RNA)
where:
Base-Base interactions energy: -1078.309
where: short stacking energy: -452.173
Base-Backbone interact. energy: -0.939
local terms energy: -488.185770
where:
bonds (distance) C4'-P energy: -96.842
bonds (distance) P-C4' energy: -97.003
flat angles C4'-P-C4' energy: -100.403
flat angles P-C4'-P energy: -74.186
tors. eta vs tors. theta energy: -119.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -1399.290229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.290229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.290229 (E_RNA)
where:
Base-Base interactions energy: -978.089
where: short stacking energy: -434.661
Base-Backbone interact. energy: -1.053
local terms energy: -420.147972
where:
bonds (distance) C4'-P energy: -85.978
bonds (distance) P-C4' energy: -75.981
flat angles C4'-P-C4' energy: -88.863
flat angles P-C4'-P energy: -61.914
tors. eta vs tors. theta energy: -107.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -1346.932335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.932335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.932335 (E_RNA)
where:
Base-Base interactions energy: -924.028
where: short stacking energy: -400.806
Base-Backbone interact. energy: -2.259
local terms energy: -420.645381
where:
bonds (distance) C4'-P energy: -74.071
bonds (distance) P-C4' energy: -77.642
flat angles C4'-P-C4' energy: -88.847
flat angles P-C4'-P energy: -72.345
tors. eta vs tors. theta energy: -107.740
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: 9, replica: 7
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -1158.849676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1158.849676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1158.849676 (E_RNA)
where:
Base-Base interactions energy: -771.368
where: short stacking energy: -311.820
Base-Backbone interact. energy: -0.905
local terms energy: -386.576806
where:
bonds (distance) C4'-P energy: -89.835
bonds (distance) P-C4' energy: -84.021
flat angles C4'-P-C4' energy: -83.193
flat angles P-C4'-P energy: -67.161
tors. eta vs tors. theta energy: -62.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -978.933182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.933182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.933182 (E_RNA)
where:
Base-Base interactions energy: -642.962
where: short stacking energy: -267.449
Base-Backbone interact. energy: -0.690
local terms energy: -335.281242
where:
bonds (distance) C4'-P energy: -92.952
bonds (distance) P-C4' energy: -70.086
flat angles C4'-P-C4' energy: -75.321
flat angles P-C4'-P energy: -51.065
tors. eta vs tors. theta energy: -45.858
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: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -1920.235639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.235639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.235639 (E_RNA)
where:
Base-Base interactions energy: -1375.952
where: short stacking energy: -540.759
Base-Backbone interact. energy: 0.751
local terms energy: -545.034829
where:
bonds (distance) C4'-P energy: -106.470
bonds (distance) P-C4' energy: -99.742
flat angles C4'-P-C4' energy: -118.689
flat angles P-C4'-P energy: -77.928
tors. eta vs tors. theta energy: -142.205
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: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -1899.299880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.299880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.299880 (E_RNA)
where:
Base-Base interactions energy: -1348.145
where: short stacking energy: -549.296
Base-Backbone interact. energy: -2.697
local terms energy: -548.457604
where:
bonds (distance) C4'-P energy: -101.451
bonds (distance) P-C4' energy: -102.134
flat angles C4'-P-C4' energy: -114.432
flat angles P-C4'-P energy: -71.107
tors. eta vs tors. theta energy: -159.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -1839.558401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.558401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.558401 (E_RNA)
where:
Base-Base interactions energy: -1317.505
where: short stacking energy: -534.252
Base-Backbone interact. energy: 1.691
local terms energy: -523.744407
where:
bonds (distance) C4'-P energy: -87.771
bonds (distance) P-C4' energy: -104.609
flat angles C4'-P-C4' energy: -104.278
flat angles P-C4'-P energy: -84.143
tors. eta vs tors. theta energy: -142.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -1727.811678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.811678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.811678 (E_RNA)
where:
Base-Base interactions energy: -1208.046
where: short stacking energy: -500.173
Base-Backbone interact. energy: -0.202
local terms energy: -519.563001
where:
bonds (distance) C4'-P energy: -100.004
bonds (distance) P-C4' energy: -92.224
flat angles C4'-P-C4' energy: -116.753
flat angles P-C4'-P energy: -76.278
tors. eta vs tors. theta energy: -134.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -1596.545529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.545529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.545529 (E_RNA)
where:
Base-Base interactions energy: -1096.313
where: short stacking energy: -448.369
Base-Backbone interact. energy: -0.048
local terms energy: -500.184195
where:
bonds (distance) C4'-P energy: -87.832
bonds (distance) P-C4' energy: -101.014
flat angles C4'-P-C4' energy: -114.226
flat angles P-C4'-P energy: -74.344
tors. eta vs tors. theta energy: -122.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -1577.721315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.721315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.721315 (E_RNA)
where:
Base-Base interactions energy: -1115.980
where: short stacking energy: -458.061
Base-Backbone interact. energy: 5.183
local terms energy: -466.924334
where:
bonds (distance) C4'-P energy: -90.843
bonds (distance) P-C4' energy: -97.049
flat angles C4'-P-C4' energy: -101.897
flat angles P-C4'-P energy: -63.272
tors. eta vs tors. theta energy: -113.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -1369.108966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.108966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.108966 (E_RNA)
where:
Base-Base interactions energy: -954.915
where: short stacking energy: -381.340
Base-Backbone interact. energy: -2.665
local terms energy: -411.528419
where:
bonds (distance) C4'-P energy: -86.847
bonds (distance) P-C4' energy: -84.945
flat angles C4'-P-C4' energy: -97.835
flat angles P-C4'-P energy: -53.467
tors. eta vs tors. theta energy: -88.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -1357.727343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.727343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.727343 (E_RNA)
where:
Base-Base interactions energy: -918.570
where: short stacking energy: -387.028
Base-Backbone interact. energy: -2.641
local terms energy: -436.515949
where:
bonds (distance) C4'-P energy: -92.022
bonds (distance) P-C4' energy: -95.693
flat angles C4'-P-C4' energy: -92.193
flat angles P-C4'-P energy: -63.228
tors. eta vs tors. theta energy: -93.381
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: 7
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -1200.552342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1200.552342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1200.552342 (E_RNA)
where:
Base-Base interactions energy: -823.851
where: short stacking energy: -334.967
Base-Backbone interact. energy: -0.585
local terms energy: -376.115488
where:
bonds (distance) C4'-P energy: -82.161
bonds (distance) P-C4' energy: -76.257
flat angles C4'-P-C4' energy: -88.083
flat angles P-C4'-P energy: -58.010
tors. eta vs tors. theta energy: -71.604
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: 10
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -987.433694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -987.433694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -987.433694 (E_RNA)
where:
Base-Base interactions energy: -673.191
where: short stacking energy: -284.042
Base-Backbone interact. energy: -1.383
local terms energy: -312.860060
where:
bonds (distance) C4'-P energy: -66.143
bonds (distance) P-C4' energy: -83.828
flat angles C4'-P-C4' energy: -77.072
flat angles P-C4'-P energy: -31.541
tors. eta vs tors. theta energy: -54.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -1904.950203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.950203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.950203 (E_RNA)
where:
Base-Base interactions energy: -1366.159
where: short stacking energy: -534.426
Base-Backbone interact. energy: 5.841
local terms energy: -544.632695
where:
bonds (distance) C4'-P energy: -100.290
bonds (distance) P-C4' energy: -110.792
flat angles C4'-P-C4' energy: -113.051
flat angles P-C4'-P energy: -71.441
tors. eta vs tors. theta energy: -149.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -1890.352970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.352970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.352970 (E_RNA)
where:
Base-Base interactions energy: -1360.121
where: short stacking energy: -548.752
Base-Backbone interact. energy: -1.278
local terms energy: -528.953694
where:
bonds (distance) C4'-P energy: -98.975
bonds (distance) P-C4' energy: -92.736
flat angles C4'-P-C4' energy: -117.281
flat angles P-C4'-P energy: -71.809
tors. eta vs tors. theta energy: -148.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -1829.945169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.945169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.945169 (E_RNA)
where:
Base-Base interactions energy: -1325.185
where: short stacking energy: -551.765
Base-Backbone interact. energy: -2.521
local terms energy: -502.239285
where:
bonds (distance) C4'-P energy: -80.669
bonds (distance) P-C4' energy: -96.531
flat angles C4'-P-C4' energy: -113.435
flat angles P-C4'-P energy: -63.350
tors. eta vs tors. theta energy: -148.255
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: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -1707.435730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.435730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.435730 (E_RNA)
where:
Base-Base interactions energy: -1199.688
where: short stacking energy: -511.666
Base-Backbone interact. energy: -2.755
local terms energy: -504.992423
where:
bonds (distance) C4'-P energy: -86.323
bonds (distance) P-C4' energy: -92.780
flat angles C4'-P-C4' energy: -107.364
flat angles P-C4'-P energy: -75.205
tors. eta vs tors. theta energy: -143.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -1568.721741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.721741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.721741 (E_RNA)
where:
Base-Base interactions energy: -1103.383
where: short stacking energy: -462.481
Base-Backbone interact. energy: -1.703
local terms energy: -463.635453
where:
bonds (distance) C4'-P energy: -82.047
bonds (distance) P-C4' energy: -88.251
flat angles C4'-P-C4' energy: -96.945
flat angles P-C4'-P energy: -70.873
tors. eta vs tors. theta energy: -125.519
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: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -1530.739219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.739219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.739219 (E_RNA)
where:
Base-Base interactions energy: -1068.108
where: short stacking energy: -430.411
Base-Backbone interact. energy: -1.623
local terms energy: -461.009000
where:
bonds (distance) C4'-P energy: -89.767
bonds (distance) P-C4' energy: -107.878
flat angles C4'-P-C4' energy: -94.524
flat angles P-C4'-P energy: -58.880
tors. eta vs tors. theta energy: -109.960
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: 7, replica: 5
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -1417.488065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.488065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.488065 (E_RNA)
where:
Base-Base interactions energy: -976.523
where: short stacking energy: -386.564
Base-Backbone interact. energy: -2.263
local terms energy: -438.701465
where:
bonds (distance) C4'-P energy: -94.578
bonds (distance) P-C4' energy: -82.378
flat angles C4'-P-C4' energy: -100.864
flat angles P-C4'-P energy: -68.215
tors. eta vs tors. theta energy: -92.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -1315.809406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.809406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.809406 (E_RNA)
where:
Base-Base interactions energy: -914.423
where: short stacking energy: -384.912
Base-Backbone interact. energy: 2.955
local terms energy: -404.341756
where:
bonds (distance) C4'-P energy: -83.324
bonds (distance) P-C4' energy: -90.531
flat angles C4'-P-C4' energy: -91.126
flat angles P-C4'-P energy: -40.979
tors. eta vs tors. theta energy: -98.381
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: 7
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -1080.731053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.731053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.731053 (E_RNA)
where:
Base-Base interactions energy: -722.127
where: short stacking energy: -295.266
Base-Backbone interact. energy: -0.765
local terms energy: -357.838812
where:
bonds (distance) C4'-P energy: -86.394
bonds (distance) P-C4' energy: -80.734
flat angles C4'-P-C4' energy: -90.319
flat angles P-C4'-P energy: -48.319
tors. eta vs tors. theta energy: -52.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -963.062206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -963.062206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -963.062206 (E_RNA)
where:
Base-Base interactions energy: -662.482
where: short stacking energy: -273.553
Base-Backbone interact. energy: -2.403
local terms energy: -298.176711
where:
bonds (distance) C4'-P energy: -71.057
bonds (distance) P-C4' energy: -92.353
flat angles C4'-P-C4' energy: -82.039
flat angles P-C4'-P energy: -20.421
tors. eta vs tors. theta energy: -32.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -1926.214713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.214713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.214713 (E_RNA)
where:
Base-Base interactions energy: -1375.373
where: short stacking energy: -557.559
Base-Backbone interact. energy: -1.860
local terms energy: -548.981524
where:
bonds (distance) C4'-P energy: -96.691
bonds (distance) P-C4' energy: -106.965
flat angles C4'-P-C4' energy: -119.916
flat angles P-C4'-P energy: -74.246
tors. eta vs tors. theta energy: -151.164
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: 166
Temperature: 0.950000
Total energy: -1919.403131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.403131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.403131 (E_RNA)
where:
Base-Base interactions energy: -1375.366
where: short stacking energy: -517.337
Base-Backbone interact. energy: 2.866
local terms energy: -546.903324
where:
bonds (distance) C4'-P energy: -102.637
bonds (distance) P-C4' energy: -101.851
flat angles C4'-P-C4' energy: -118.916
flat angles P-C4'-P energy: -76.678
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: 3, replica: 1
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -1806.986656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.986656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.986656 (E_RNA)
where:
Base-Base interactions energy: -1275.472
where: short stacking energy: -500.038
Base-Backbone interact. energy: -1.842
local terms energy: -529.672316
where:
bonds (distance) C4'-P energy: -87.441
bonds (distance) P-C4' energy: -103.809
flat angles C4'-P-C4' energy: -115.720
flat angles P-C4'-P energy: -87.665
tors. eta vs tors. theta energy: -135.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -1709.222642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.222642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.222642 (E_RNA)
where:
Base-Base interactions energy: -1205.716
where: short stacking energy: -506.056
Base-Backbone interact. energy: 0.422
local terms energy: -503.928783
where:
bonds (distance) C4'-P energy: -100.116
bonds (distance) P-C4' energy: -86.913
flat angles C4'-P-C4' energy: -103.147
flat angles P-C4'-P energy: -76.810
tors. eta vs tors. theta energy: -136.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -1567.501564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.501564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.501564 (E_RNA)
where:
Base-Base interactions energy: -1089.221
where: short stacking energy: -452.805
Base-Backbone interact. energy: -1.793
local terms energy: -476.487048
where:
bonds (distance) C4'-P energy: -91.648
bonds (distance) P-C4' energy: -90.646
flat angles C4'-P-C4' energy: -109.740
flat angles P-C4'-P energy: -65.705
tors. eta vs tors. theta energy: -118.748
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: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -1568.376387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1568.376387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1568.376387 (E_RNA)
where:
Base-Base interactions energy: -1125.648
where: short stacking energy: -450.160
Base-Backbone interact. energy: -3.700
local terms energy: -439.028204
where:
bonds (distance) C4'-P energy: -79.271
bonds (distance) P-C4' energy: -89.111
flat angles C4'-P-C4' energy: -110.509
flat angles P-C4'-P energy: -62.016
tors. eta vs tors. theta energy: -98.121
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: 5
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -1401.200436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1401.200436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1401.200436 (E_RNA)
where:
Base-Base interactions energy: -970.614
where: short stacking energy: -390.921
Base-Backbone interact. energy: -0.191
local terms energy: -430.395308
where:
bonds (distance) C4'-P energy: -91.704
bonds (distance) P-C4' energy: -82.463
flat angles C4'-P-C4' energy: -100.178
flat angles P-C4'-P energy: -70.078
tors. eta vs tors. theta energy: -85.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -1250.655245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.655245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.655245 (E_RNA)
where:
Base-Base interactions energy: -847.199
where: short stacking energy: -346.972
Base-Backbone interact. energy: -1.637
local terms energy: -401.819105
where:
bonds (distance) C4'-P energy: -86.953
bonds (distance) P-C4' energy: -79.848
flat angles C4'-P-C4' energy: -88.721
flat angles P-C4'-P energy: -66.151
tors. eta vs tors. theta energy: -80.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -1146.858916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.858916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.858916 (E_RNA)
where:
Base-Base interactions energy: -772.288
where: short stacking energy: -329.814
Base-Backbone interact. energy: 1.092
local terms energy: -375.663054
where:
bonds (distance) C4'-P energy: -72.466
bonds (distance) P-C4' energy: -94.390
flat angles C4'-P-C4' energy: -98.046
flat angles P-C4'-P energy: -49.479
tors. eta vs tors. theta energy: -61.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -965.474464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.474464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.474464 (E_RNA)
where:
Base-Base interactions energy: -584.879
where: short stacking energy: -277.940
Base-Backbone interact. energy: -0.410
local terms energy: -380.186181
where:
bonds (distance) C4'-P energy: -80.198
bonds (distance) P-C4' energy: -91.456
flat angles C4'-P-C4' energy: -91.132
flat angles P-C4'-P energy: -73.096
tors. eta vs tors. theta energy: -44.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -1912.644549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.644549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.644549 (E_RNA)
where:
Base-Base interactions energy: -1331.802
where: short stacking energy: -555.748
Base-Backbone interact. energy: 1.840
local terms energy: -582.682920
where:
bonds (distance) C4'-P energy: -122.402
bonds (distance) P-C4' energy: -102.047
flat angles C4'-P-C4' energy: -111.633
flat angles P-C4'-P energy: -86.159
tors. eta vs tors. theta energy: -160.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -1909.083231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.083231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.083231 (E_RNA)
where:
Base-Base interactions energy: -1384.678
where: short stacking energy: -538.943
Base-Backbone interact. energy: 2.985
local terms energy: -527.390164
where:
bonds (distance) C4'-P energy: -83.972
bonds (distance) P-C4' energy: -101.639
flat angles C4'-P-C4' energy: -118.430
flat angles P-C4'-P energy: -74.099
tors. eta vs tors. theta energy: -149.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -1822.904840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.904840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.904840 (E_RNA)
where:
Base-Base interactions energy: -1291.744
where: short stacking energy: -517.405
Base-Backbone interact. energy: -2.130
local terms energy: -529.031003
where:
bonds (distance) C4'-P energy: -95.008
bonds (distance) P-C4' energy: -91.745
flat angles C4'-P-C4' energy: -122.045
flat angles P-C4'-P energy: -77.454
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: 4, replica: 3
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -1716.820885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.820885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.820885 (E_RNA)
where:
Base-Base interactions energy: -1203.085
where: short stacking energy: -506.135
Base-Backbone interact. energy: -2.494
local terms energy: -511.242098
where:
bonds (distance) C4'-P energy: -99.380
bonds (distance) P-C4' energy: -104.664
flat angles C4'-P-C4' energy: -103.380
flat angles P-C4'-P energy: -69.161
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: 5, replica: 9
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -1616.599781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.599781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.599781 (E_RNA)
where:
Base-Base interactions energy: -1125.482
where: short stacking energy: -494.995
Base-Backbone interact. energy: -0.446
local terms energy: -490.671618
where:
bonds (distance) C4'-P energy: -82.847
bonds (distance) P-C4' energy: -93.062
flat angles C4'-P-C4' energy: -113.749
flat angles P-C4'-P energy: -70.164
tors. eta vs tors. theta energy: -130.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -1586.123043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.123043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.123043 (E_RNA)
where:
Base-Base interactions energy: -1110.572
where: short stacking energy: -428.096
Base-Backbone interact. energy: -1.278
local terms energy: -474.273454
where:
bonds (distance) C4'-P energy: -86.132
bonds (distance) P-C4' energy: -96.944
flat angles C4'-P-C4' energy: -113.964
flat angles P-C4'-P energy: -68.510
tors. eta vs tors. theta energy: -108.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -1370.578473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.578473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.578473 (E_RNA)
where:
Base-Base interactions energy: -941.944
where: short stacking energy: -390.813
Base-Backbone interact. energy: -1.504
local terms energy: -427.130783
where:
bonds (distance) C4'-P energy: -81.864
bonds (distance) P-C4' energy: -97.407
flat angles C4'-P-C4' energy: -94.881
flat angles P-C4'-P energy: -63.712
tors. eta vs tors. theta energy: -89.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -1273.629196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.629196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.629196 (E_RNA)
where:
Base-Base interactions energy: -873.877
where: short stacking energy: -375.070
Base-Backbone interact. energy: 2.294
local terms energy: -402.046250
where:
bonds (distance) C4'-P energy: -88.140
bonds (distance) P-C4' energy: -92.003
flat angles C4'-P-C4' energy: -78.255
flat angles P-C4'-P energy: -61.889
tors. eta vs tors. theta energy: -81.759
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: 7
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -1174.894584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.894584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.894584 (E_RNA)
where:
Base-Base interactions energy: -825.957
where: short stacking energy: -349.699
Base-Backbone interact. energy: -0.806
local terms energy: -348.131427
where:
bonds (distance) C4'-P energy: -73.494
bonds (distance) P-C4' energy: -66.560
flat angles C4'-P-C4' energy: -97.443
flat angles P-C4'-P energy: -45.855
tors. eta vs tors. theta energy: -64.780
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: 10, replica: 10
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -932.664623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -932.664623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -932.664623 (E_RNA)
where:
Base-Base interactions energy: -571.337
where: short stacking energy: -244.902
Base-Backbone interact. energy: -0.975
local terms energy: -360.352290
where:
bonds (distance) C4'-P energy: -84.854
bonds (distance) P-C4' energy: -96.283
flat angles C4'-P-C4' energy: -84.001
flat angles P-C4'-P energy: -48.803
tors. eta vs tors. theta energy: -46.412
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: 4
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -1953.885800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.885800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.885800 (E_RNA)
where:
Base-Base interactions energy: -1414.663
where: short stacking energy: -564.168
Base-Backbone interact. energy: -2.031
local terms energy: -537.192169
where:
bonds (distance) C4'-P energy: -91.338
bonds (distance) P-C4' energy: -110.589
flat angles C4'-P-C4' energy: -110.926
flat angles P-C4'-P energy: -74.020
tors. eta vs tors. theta energy: -150.319
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: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -1868.261152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.261152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.261152 (E_RNA)
where:
Base-Base interactions energy: -1311.305
where: short stacking energy: -536.306
Base-Backbone interact. energy: -0.604
local terms energy: -556.351907
where:
bonds (distance) C4'-P energy: -117.044
bonds (distance) P-C4' energy: -98.505
flat angles C4'-P-C4' energy: -109.758
flat angles P-C4'-P energy: -80.037
tors. eta vs tors. theta energy: -151.007
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: 168
Temperature: 1.000000
Total energy: -1838.838207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.838207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.838207 (E_RNA)
where:
Base-Base interactions energy: -1312.367
where: short stacking energy: -524.572
Base-Backbone interact. energy: -2.894
local terms energy: -523.576272
where:
bonds (distance) C4'-P energy: -92.208
bonds (distance) P-C4' energy: -93.441
flat angles C4'-P-C4' energy: -108.718
flat angles P-C4'-P energy: -80.643
tors. eta vs tors. theta energy: -148.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -1722.335057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.335057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.335057 (E_RNA)
where:
Base-Base interactions energy: -1231.958
where: short stacking energy: -503.169
Base-Backbone interact. energy: -2.000
local terms energy: -488.377166
where:
bonds (distance) C4'-P energy: -89.397
bonds (distance) P-C4' energy: -86.889
flat angles C4'-P-C4' energy: -107.020
flat angles P-C4'-P energy: -76.904
tors. eta vs tors. theta energy: -128.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -1618.186844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.186844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.186844 (E_RNA)
where:
Base-Base interactions energy: -1144.479
where: short stacking energy: -484.717
Base-Backbone interact. energy: -1.274
local terms energy: -472.433600
where:
bonds (distance) C4'-P energy: -95.164
bonds (distance) P-C4' energy: -92.387
flat angles C4'-P-C4' energy: -97.028
flat angles P-C4'-P energy: -65.107
tors. eta vs tors. theta energy: -122.749
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: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -1583.085997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.085997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.085997 (E_RNA)
where:
Base-Base interactions energy: -1126.154
where: short stacking energy: -449.777
Base-Backbone interact. energy: -2.773
local terms energy: -454.158785
where:
bonds (distance) C4'-P energy: -70.494
bonds (distance) P-C4' energy: -87.785
flat angles C4'-P-C4' energy: -104.025
flat angles P-C4'-P energy: -71.974
tors. eta vs tors. theta energy: -119.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -1325.587990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1325.587990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1325.587990 (E_RNA)
where:
Base-Base interactions energy: -894.491
where: short stacking energy: -377.760
Base-Backbone interact. energy: -1.828
local terms energy: -429.269611
where:
bonds (distance) C4'-P energy: -92.492
bonds (distance) P-C4' energy: -95.989
flat angles C4'-P-C4' energy: -83.783
flat angles P-C4'-P energy: -62.707
tors. eta vs tors. theta energy: -94.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -1263.826353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.826353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.826353 (E_RNA)
where:
Base-Base interactions energy: -837.937
where: short stacking energy: -349.428
Base-Backbone interact. energy: 3.585
local terms energy: -429.474601
where:
bonds (distance) C4'-P energy: -97.503
bonds (distance) P-C4' energy: -101.251
flat angles C4'-P-C4' energy: -95.497
flat angles P-C4'-P energy: -53.966
tors. eta vs tors. theta energy: -81.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -1159.882889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.882889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.882889 (E_RNA)
where:
Base-Base interactions energy: -793.932
where: short stacking energy: -310.565
Base-Backbone interact. energy: -2.480
local terms energy: -363.470471
where:
bonds (distance) C4'-P energy: -65.673
bonds (distance) P-C4' energy: -84.462
flat angles C4'-P-C4' energy: -93.841
flat angles P-C4'-P energy: -68.006
tors. eta vs tors. theta energy: -51.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -959.922335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -959.922335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -959.922335 (E_RNA)
where:
Base-Base interactions energy: -660.998
where: short stacking energy: -294.705
Base-Backbone interact. energy: -1.624
local terms energy: -297.300957
where:
bonds (distance) C4'-P energy: -72.712
bonds (distance) P-C4' energy: -63.727
flat angles C4'-P-C4' energy: -72.370
flat angles P-C4'-P energy: -42.712
tors. eta vs tors. theta energy: -45.780
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: 1, replica: 4
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -1994.519205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1994.519205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1994.519205 (E_RNA)
where:
Base-Base interactions energy: -1425.778
where: short stacking energy: -589.535
Base-Backbone interact. energy: -1.365
local terms energy: -567.375829
where:
bonds (distance) C4'-P energy: -101.790
bonds (distance) P-C4' energy: -108.880
flat angles C4'-P-C4' energy: -118.554
flat angles P-C4'-P energy: -82.713
tors. eta vs tors. theta energy: -155.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -1876.914694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.914694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.914694 (E_RNA)
where:
Base-Base interactions energy: -1350.883
where: short stacking energy: -540.056
Base-Backbone interact. energy: -2.804
local terms energy: -523.226999
where:
bonds (distance) C4'-P energy: -90.871
bonds (distance) P-C4' energy: -112.516
flat angles C4'-P-C4' energy: -101.581
flat angles P-C4'-P energy: -71.146
tors. eta vs tors. theta energy: -147.113
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: 169
Temperature: 1.000000
Total energy: -1814.479111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.479111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.479111 (E_RNA)
where:
Base-Base interactions energy: -1290.662
where: short stacking energy: -541.748
Base-Backbone interact. energy: -3.053
local terms energy: -520.763922
where:
bonds (distance) C4'-P energy: -87.560
bonds (distance) P-C4' energy: -104.598
flat angles C4'-P-C4' energy: -112.504
flat angles P-C4'-P energy: -63.025
tors. eta vs tors. theta energy: -153.077
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: 3
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -1750.255383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.255383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.255383 (E_RNA)
where:
Base-Base interactions energy: -1238.997
where: short stacking energy: -502.392
Base-Backbone interact. energy: -0.389
local terms energy: -510.868957
where:
bonds (distance) C4'-P energy: -91.821
bonds (distance) P-C4' energy: -101.268
flat angles C4'-P-C4' energy: -101.055
flat angles P-C4'-P energy: -74.914
tors. eta vs tors. theta energy: -141.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -1617.055843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1617.055843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1617.055843 (E_RNA)
where:
Base-Base interactions energy: -1121.787
where: short stacking energy: -462.407
Base-Backbone interact. energy: -1.442
local terms energy: -493.826872
where:
bonds (distance) C4'-P energy: -93.218
bonds (distance) P-C4' energy: -98.428
flat angles C4'-P-C4' energy: -112.543
flat angles P-C4'-P energy: -72.253
tors. eta vs tors. theta energy: -117.384
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: 8
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -1590.228286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.228286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.228286 (E_RNA)
where:
Base-Base interactions energy: -1123.079
where: short stacking energy: -458.023
Base-Backbone interact. energy: 0.703
local terms energy: -467.852120
where:
bonds (distance) C4'-P energy: -92.448
bonds (distance) P-C4' energy: -96.800
flat angles C4'-P-C4' energy: -96.293
flat angles P-C4'-P energy: -69.923
tors. eta vs tors. theta energy: -112.388
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: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -1351.171299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.171299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.171299 (E_RNA)
where:
Base-Base interactions energy: -909.143
where: short stacking energy: -370.275
Base-Backbone interact. energy: -3.153
local terms energy: -438.875013
where:
bonds (distance) C4'-P energy: -97.345
bonds (distance) P-C4' energy: -82.215
flat angles C4'-P-C4' energy: -104.611
flat angles P-C4'-P energy: -66.557
tors. eta vs tors. theta energy: -88.147
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: 8, replica: 6
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -1237.682706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.682706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.682706 (E_RNA)
where:
Base-Base interactions energy: -832.208
where: short stacking energy: -351.411
Base-Backbone interact. energy: -1.785
local terms energy: -403.690361
where:
bonds (distance) C4'-P energy: -77.849
bonds (distance) P-C4' energy: -90.316
flat angles C4'-P-C4' energy: -88.460
flat angles P-C4'-P energy: -60.204
tors. eta vs tors. theta energy: -86.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -1132.873865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.873865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.873865 (E_RNA)
where:
Base-Base interactions energy: -729.897
where: short stacking energy: -318.549
Base-Backbone interact. energy: -0.770
local terms energy: -402.207191
where:
bonds (distance) C4'-P energy: -95.801
bonds (distance) P-C4' energy: -87.116
flat angles C4'-P-C4' energy: -95.918
flat angles P-C4'-P energy: -56.403
tors. eta vs tors. theta energy: -66.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -967.411792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -967.411792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -967.411792 (E_RNA)
where:
Base-Base interactions energy: -638.709
where: short stacking energy: -276.471
Base-Backbone interact. energy: 2.032
local terms energy: -330.735003
where:
bonds (distance) C4'-P energy: -80.254
bonds (distance) P-C4' energy: -81.158
flat angles C4'-P-C4' energy: -62.712
flat angles P-C4'-P energy: -64.691
tors. eta vs tors. theta energy: -41.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -1995.862265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.862265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.862265 (E_RNA)
where:
Base-Base interactions energy: -1445.810
where: short stacking energy: -578.401
Base-Backbone interact. energy: -1.369
local terms energy: -548.683063
where:
bonds (distance) C4'-P energy: -88.676
bonds (distance) P-C4' energy: -102.696
flat angles C4'-P-C4' energy: -120.759
flat angles P-C4'-P energy: -77.576
tors. eta vs tors. theta energy: -158.977
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: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -1907.548099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.548099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.548099 (E_RNA)
where:
Base-Base interactions energy: -1362.361
where: short stacking energy: -549.488
Base-Backbone interact. energy: -2.788
local terms energy: -542.398795
where:
bonds (distance) C4'-P energy: -105.421
bonds (distance) P-C4' energy: -107.510
flat angles C4'-P-C4' energy: -111.110
flat angles P-C4'-P energy: -73.187
tors. eta vs tors. theta energy: -145.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -1831.347789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.347789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.347789 (E_RNA)
where:
Base-Base interactions energy: -1308.310
where: short stacking energy: -539.672
Base-Backbone interact. energy: -1.188
local terms energy: -521.849095
where:
bonds (distance) C4'-P energy: -95.589
bonds (distance) P-C4' energy: -91.163
flat angles C4'-P-C4' energy: -110.529
flat angles P-C4'-P energy: -77.203
tors. eta vs tors. theta energy: -147.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -1711.767822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.767822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.767822 (E_RNA)
where:
Base-Base interactions energy: -1202.090
where: short stacking energy: -497.380
Base-Backbone interact. energy: -1.947
local terms energy: -507.731017
where:
bonds (distance) C4'-P energy: -94.208
bonds (distance) P-C4' energy: -90.874
flat angles C4'-P-C4' energy: -115.270
flat angles P-C4'-P energy: -76.009
tors. eta vs tors. theta energy: -131.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -1589.451236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.451236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.451236 (E_RNA)
where:
Base-Base interactions energy: -1121.047
where: short stacking energy: -468.239
Base-Backbone interact. energy: -1.315
local terms energy: -467.090029
where:
bonds (distance) C4'-P energy: -80.529
bonds (distance) P-C4' energy: -104.498
flat angles C4'-P-C4' energy: -111.409
flat angles P-C4'-P energy: -47.096
tors. eta vs tors. theta energy: -123.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -1555.311053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.311053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.311053 (E_RNA)
where:
Base-Base interactions energy: -1100.274
where: short stacking energy: -463.550
Base-Backbone interact. energy: -1.176
local terms energy: -453.861015
where:
bonds (distance) C4'-P energy: -74.317
bonds (distance) P-C4' energy: -96.081
flat angles C4'-P-C4' energy: -100.867
flat angles P-C4'-P energy: -63.339
tors. eta vs tors. theta energy: -119.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -1366.856209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.856209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.856209 (E_RNA)
where:
Base-Base interactions energy: -907.643
where: short stacking energy: -381.322
Base-Backbone interact. energy: -0.421
local terms energy: -458.791873
where:
bonds (distance) C4'-P energy: -80.050
bonds (distance) P-C4' energy: -90.457
flat angles C4'-P-C4' energy: -105.368
flat angles P-C4'-P energy: -78.830
tors. eta vs tors. theta energy: -104.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -1223.449275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.449275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.449275 (E_RNA)
where:
Base-Base interactions energy: -832.657
where: short stacking energy: -356.788
Base-Backbone interact. energy: -1.749
local terms energy: -389.043240
where:
bonds (distance) C4'-P energy: -66.382
bonds (distance) P-C4' energy: -89.418
flat angles C4'-P-C4' energy: -76.592
flat angles P-C4'-P energy: -70.896
tors. eta vs tors. theta energy: -85.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -1154.794295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.794295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.794295 (E_RNA)
where:
Base-Base interactions energy: -773.463
where: short stacking energy: -315.031
Base-Backbone interact. energy: -0.560
local terms energy: -380.771918
where:
bonds (distance) C4'-P energy: -77.881
bonds (distance) P-C4' energy: -75.221
flat angles C4'-P-C4' energy: -100.350
flat angles P-C4'-P energy: -59.609
tors. eta vs tors. theta energy: -67.712
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: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -964.730608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -964.730608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -964.730608 (E_RNA)
where:
Base-Base interactions energy: -651.526
where: short stacking energy: -302.366
Base-Backbone interact. energy: 5.867
local terms energy: -319.071678
where:
bonds (distance) C4'-P energy: -78.689
bonds (distance) P-C4' energy: -78.662
flat angles C4'-P-C4' energy: -82.075
flat angles P-C4'-P energy: -31.361
tors. eta vs tors. theta energy: -48.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -2003.157300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2003.157300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2003.157300 (E_RNA)
where:
Base-Base interactions energy: -1443.474
where: short stacking energy: -581.593
Base-Backbone interact. energy: 0.617
local terms energy: -560.300314
where:
bonds (distance) C4'-P energy: -91.172
bonds (distance) P-C4' energy: -101.844
flat angles C4'-P-C4' energy: -120.284
flat angles P-C4'-P energy: -85.617
tors. eta vs tors. theta energy: -161.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -1897.305104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.305104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.305104 (E_RNA)
where:
Base-Base interactions energy: -1377.336
where: short stacking energy: -556.685
Base-Backbone interact. energy: -4.116
local terms energy: -515.852662
where:
bonds (distance) C4'-P energy: -91.172
bonds (distance) P-C4' energy: -92.010
flat angles C4'-P-C4' energy: -111.668
flat angles P-C4'-P energy: -74.757
tors. eta vs tors. theta energy: -146.245
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: 3, replica: 1
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -1824.251307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.251307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.251307 (E_RNA)
where:
Base-Base interactions energy: -1298.920
where: short stacking energy: -551.682
Base-Backbone interact. energy: -1.893
local terms energy: -523.438549
where:
bonds (distance) C4'-P energy: -87.542
bonds (distance) P-C4' energy: -97.489
flat angles C4'-P-C4' energy: -109.492
flat angles P-C4'-P energy: -82.335
tors. eta vs tors. theta energy: -146.581
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: 3
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -1735.020115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.020115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.020115 (E_RNA)
where:
Base-Base interactions energy: -1240.821
where: short stacking energy: -506.003
Base-Backbone interact. energy: -2.852
local terms energy: -491.346630
where:
bonds (distance) C4'-P energy: -86.195
bonds (distance) P-C4' energy: -92.779
flat angles C4'-P-C4' energy: -99.242
flat angles P-C4'-P energy: -69.497
tors. eta vs tors. theta energy: -143.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -1577.478217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1577.478217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1577.478217 (E_RNA)
where:
Base-Base interactions energy: -1134.324
where: short stacking energy: -494.343
Base-Backbone interact. energy: 1.034
local terms energy: -444.187955
where:
bonds (distance) C4'-P energy: -72.685
bonds (distance) P-C4' energy: -84.237
flat angles C4'-P-C4' energy: -105.928
flat angles P-C4'-P energy: -55.881
tors. eta vs tors. theta energy: -125.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -1573.745649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.745649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.745649 (E_RNA)
where:
Base-Base interactions energy: -1101.236
where: short stacking energy: -449.723
Base-Backbone interact. energy: 0.854
local terms energy: -473.363705
where:
bonds (distance) C4'-P energy: -84.175
bonds (distance) P-C4' energy: -81.863
flat angles C4'-P-C4' energy: -116.502
flat angles P-C4'-P energy: -70.631
tors. eta vs tors. theta energy: -120.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -1348.533560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.533560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.533560 (E_RNA)
where:
Base-Base interactions energy: -928.523
where: short stacking energy: -391.982
Base-Backbone interact. energy: 1.694
local terms energy: -421.704580
where:
bonds (distance) C4'-P energy: -82.171
bonds (distance) P-C4' energy: -92.842
flat angles C4'-P-C4' energy: -95.640
flat angles P-C4'-P energy: -51.694
tors. eta vs tors. theta energy: -99.357
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: 171
Temperature: 1.250000
Total energy: -1213.634390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1213.634390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1213.634390 (E_RNA)
where:
Base-Base interactions energy: -811.869
where: short stacking energy: -342.742
Base-Backbone interact. energy: -2.521
local terms energy: -399.244638
where:
bonds (distance) C4'-P energy: -82.570
bonds (distance) P-C4' energy: -87.368
flat angles C4'-P-C4' energy: -91.640
flat angles P-C4'-P energy: -58.476
tors. eta vs tors. theta energy: -79.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -1189.833281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.833281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.833281 (E_RNA)
where:
Base-Base interactions energy: -835.030
where: short stacking energy: -341.997
Base-Backbone interact. energy: -1.598
local terms energy: -353.205416
where:
bonds (distance) C4'-P energy: -79.999
bonds (distance) P-C4' energy: -74.995
flat angles C4'-P-C4' energy: -92.583
flat angles P-C4'-P energy: -55.127
tors. eta vs tors. theta energy: -50.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -941.128961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -941.128961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -941.128961 (E_RNA)
where:
Base-Base interactions energy: -612.717
where: short stacking energy: -279.936
Base-Backbone interact. energy: -2.186
local terms energy: -326.226047
where:
bonds (distance) C4'-P energy: -76.807
bonds (distance) P-C4' energy: -72.896
flat angles C4'-P-C4' energy: -81.578
flat angles P-C4'-P energy: -51.073
tors. eta vs tors. theta energy: -43.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -1968.755237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.755237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.755237 (E_RNA)
where:
Base-Base interactions energy: -1398.867
where: short stacking energy: -572.615
Base-Backbone interact. energy: -2.807
local terms energy: -567.080838
where:
bonds (distance) C4'-P energy: -108.241
bonds (distance) P-C4' energy: -106.180
flat angles C4'-P-C4' energy: -124.326
flat angles P-C4'-P energy: -74.653
tors. eta vs tors. theta energy: -153.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -1927.106053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.106053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.106053 (E_RNA)
where:
Base-Base interactions energy: -1382.305
where: short stacking energy: -534.042
Base-Backbone interact. energy: 1.085
local terms energy: -545.886726
where:
bonds (distance) C4'-P energy: -102.690
bonds (distance) P-C4' energy: -101.096
flat angles C4'-P-C4' energy: -118.995
flat angles P-C4'-P energy: -81.834
tors. eta vs tors. theta energy: -141.271
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: 172
Temperature: 1.000000
Total energy: -1815.527472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.527472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.527472 (E_RNA)
where:
Base-Base interactions energy: -1301.200
where: short stacking energy: -542.662
Base-Backbone interact. energy: -0.695
local terms energy: -513.632376
where:
bonds (distance) C4'-P energy: -80.341
bonds (distance) P-C4' energy: -97.022
flat angles C4'-P-C4' energy: -115.084
flat angles P-C4'-P energy: -63.036
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: 3
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -1744.527371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.527371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.527371 (E_RNA)
where:
Base-Base interactions energy: -1240.739
where: short stacking energy: -510.318
Base-Backbone interact. energy: -1.111
local terms energy: -502.678196
where:
bonds (distance) C4'-P energy: -84.266
bonds (distance) P-C4' energy: -85.511
flat angles C4'-P-C4' energy: -114.003
flat angles P-C4'-P energy: -80.468
tors. eta vs tors. theta energy: -138.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -1579.521396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.521396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.521396 (E_RNA)
where:
Base-Base interactions energy: -1090.563
where: short stacking energy: -475.309
Base-Backbone interact. energy: -0.528
local terms energy: -488.430808
where:
bonds (distance) C4'-P energy: -91.319
bonds (distance) P-C4' energy: -86.213
flat angles C4'-P-C4' energy: -96.071
flat angles P-C4'-P energy: -84.323
tors. eta vs tors. theta energy: -130.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -1563.279772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1563.279772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1563.279772 (E_RNA)
where:
Base-Base interactions energy: -1084.396
where: short stacking energy: -453.939
Base-Backbone interact. energy: 2.124
local terms energy: -481.007994
where:
bonds (distance) C4'-P energy: -98.866
bonds (distance) P-C4' energy: -100.917
flat angles C4'-P-C4' energy: -99.124
flat angles P-C4'-P energy: -73.472
tors. eta vs tors. theta energy: -108.629
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: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -1330.039874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.039874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.039874 (E_RNA)
where:
Base-Base interactions energy: -922.693
where: short stacking energy: -377.811
Base-Backbone interact. energy: -1.281
local terms energy: -406.066071
where:
bonds (distance) C4'-P energy: -73.554
bonds (distance) P-C4' energy: -91.402
flat angles C4'-P-C4' energy: -87.746
flat angles P-C4'-P energy: -68.136
tors. eta vs tors. theta energy: -85.228
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: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -1240.572540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.572540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.572540 (E_RNA)
where:
Base-Base interactions energy: -826.366
where: short stacking energy: -363.470
Base-Backbone interact. energy: 0.325
local terms energy: -414.530584
where:
bonds (distance) C4'-P energy: -77.825
bonds (distance) P-C4' energy: -103.624
flat angles C4'-P-C4' energy: -90.920
flat angles P-C4'-P energy: -64.777
tors. eta vs tors. theta energy: -77.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -1190.832168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.832168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.832168 (E_RNA)
where:
Base-Base interactions energy: -772.919
where: short stacking energy: -324.634
Base-Backbone interact. energy: -2.250
local terms energy: -415.663847
where:
bonds (distance) C4'-P energy: -103.783
bonds (distance) P-C4' energy: -103.081
flat angles C4'-P-C4' energy: -91.192
flat angles P-C4'-P energy: -48.279
tors. eta vs tors. theta energy: -69.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -866.285075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -866.285075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -866.285075 (E_RNA)
where:
Base-Base interactions energy: -541.861
where: short stacking energy: -239.756
Base-Backbone interact. energy: 0.793
local terms energy: -325.216712
where:
bonds (distance) C4'-P energy: -78.205
bonds (distance) P-C4' energy: -84.982
flat angles C4'-P-C4' energy: -83.573
flat angles P-C4'-P energy: -54.385
tors. eta vs tors. theta energy: -24.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -1968.068767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.068767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.068767 (E_RNA)
where:
Base-Base interactions energy: -1388.684
where: short stacking energy: -569.532
Base-Backbone interact. energy: 1.071
local terms energy: -580.454943
where:
bonds (distance) C4'-P energy: -107.137
bonds (distance) P-C4' energy: -111.514
flat angles C4'-P-C4' energy: -111.814
flat angles P-C4'-P energy: -91.168
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: 2, replica: 2
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -1924.310491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.310491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.310491 (E_RNA)
where:
Base-Base interactions energy: -1389.370
where: short stacking energy: -529.368
Base-Backbone interact. energy: 2.896
local terms energy: -537.836066
where:
bonds (distance) C4'-P energy: -97.203
bonds (distance) P-C4' energy: -96.644
flat angles C4'-P-C4' energy: -121.651
flat angles P-C4'-P energy: -74.365
tors. eta vs tors. theta energy: -147.973
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: 173
Temperature: 1.000000
Total energy: -1810.953011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.953011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.953011 (E_RNA)
where:
Base-Base interactions energy: -1272.693
where: short stacking energy: -496.397
Base-Backbone interact. energy: -5.018
local terms energy: -533.241746
where:
bonds (distance) C4'-P energy: -98.647
bonds (distance) P-C4' energy: -114.095
flat angles C4'-P-C4' energy: -100.226
flat angles P-C4'-P energy: -71.352
tors. eta vs tors. theta energy: -148.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -1732.514607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.514607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.514607 (E_RNA)
where:
Base-Base interactions energy: -1221.715
where: short stacking energy: -516.386
Base-Backbone interact. energy: -5.733
local terms energy: -505.065869
where:
bonds (distance) C4'-P energy: -101.465
bonds (distance) P-C4' energy: -92.061
flat angles C4'-P-C4' energy: -101.650
flat angles P-C4'-P energy: -70.255
tors. eta vs tors. theta energy: -139.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -1574.512622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.512622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.512622 (E_RNA)
where:
Base-Base interactions energy: -1090.371
where: short stacking energy: -472.706
Base-Backbone interact. energy: 0.832
local terms energy: -484.973450
where:
bonds (distance) C4'-P energy: -99.467
bonds (distance) P-C4' energy: -105.186
flat angles C4'-P-C4' energy: -87.844
flat angles P-C4'-P energy: -66.520
tors. eta vs tors. theta energy: -125.956
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: 8
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -1560.145260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1560.145260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1560.145260 (E_RNA)
where:
Base-Base interactions energy: -1112.099
where: short stacking energy: -456.096
Base-Backbone interact. energy: -5.943
local terms energy: -442.103238
where:
bonds (distance) C4'-P energy: -68.100
bonds (distance) P-C4' energy: -94.659
flat angles C4'-P-C4' energy: -99.345
flat angles P-C4'-P energy: -66.407
tors. eta vs tors. theta energy: -113.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -1371.320326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.320326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.320326 (E_RNA)
where:
Base-Base interactions energy: -935.505
where: short stacking energy: -386.785
Base-Backbone interact. energy: 2.366
local terms energy: -438.180928
where:
bonds (distance) C4'-P energy: -93.726
bonds (distance) P-C4' energy: -94.244
flat angles C4'-P-C4' energy: -84.590
flat angles P-C4'-P energy: -62.620
tors. eta vs tors. theta energy: -103.001
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: 6
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -1244.815334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.815334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.815334 (E_RNA)
where:
Base-Base interactions energy: -851.879
where: short stacking energy: -358.153
Base-Backbone interact. energy: 2.153
local terms energy: -395.089573
where:
bonds (distance) C4'-P energy: -81.609
bonds (distance) P-C4' energy: -79.415
flat angles C4'-P-C4' energy: -83.249
flat angles P-C4'-P energy: -69.982
tors. eta vs tors. theta energy: -80.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -1271.976691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.976691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.976691 (E_RNA)
where:
Base-Base interactions energy: -897.960
where: short stacking energy: -359.087
Base-Backbone interact. energy: 0.073
local terms energy: -374.089366
where:
bonds (distance) C4'-P energy: -79.603
bonds (distance) P-C4' energy: -75.984
flat angles C4'-P-C4' energy: -93.693
flat angles P-C4'-P energy: -43.575
tors. eta vs tors. theta energy: -81.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -856.622255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -856.622255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -856.622255 (E_RNA)
where:
Base-Base interactions energy: -522.867
where: short stacking energy: -259.019
Base-Backbone interact. energy: 1.033
local terms energy: -334.788071
where:
bonds (distance) C4'-P energy: -70.448
bonds (distance) P-C4' energy: -104.653
flat angles C4'-P-C4' energy: -81.623
flat angles P-C4'-P energy: -45.338
tors. eta vs tors. theta energy: -32.726
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: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -1980.985666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.985666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.985666 (E_RNA)
where:
Base-Base interactions energy: -1404.467
where: short stacking energy: -564.701
Base-Backbone interact. energy: 0.427
local terms energy: -576.946097
where:
bonds (distance) C4'-P energy: -112.981
bonds (distance) P-C4' energy: -110.780
flat angles C4'-P-C4' energy: -122.980
flat angles P-C4'-P energy: -80.429
tors. eta vs tors. theta energy: -149.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -1933.469832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.469832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.469832 (E_RNA)
where:
Base-Base interactions energy: -1393.339
where: short stacking energy: -547.377
Base-Backbone interact. energy: -0.322
local terms energy: -539.808855
where:
bonds (distance) C4'-P energy: -99.585
bonds (distance) P-C4' energy: -98.789
flat angles C4'-P-C4' energy: -115.161
flat angles P-C4'-P energy: -77.679
tors. eta vs tors. theta energy: -148.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -1834.512965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.512965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.512965 (E_RNA)
where:
Base-Base interactions energy: -1295.449
where: short stacking energy: -528.139
Base-Backbone interact. energy: -2.392
local terms energy: -536.672075
where:
bonds (distance) C4'-P energy: -88.476
bonds (distance) P-C4' energy: -109.102
flat angles C4'-P-C4' energy: -113.604
flat angles P-C4'-P energy: -72.767
tors. eta vs tors. theta energy: -152.723
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: 4, replica: 3
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -1748.223629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.223629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.223629 (E_RNA)
where:
Base-Base interactions energy: -1239.901
where: short stacking energy: -508.795
Base-Backbone interact. energy: -1.348
local terms energy: -506.975354
where:
bonds (distance) C4'-P energy: -100.109
bonds (distance) P-C4' energy: -95.616
flat angles C4'-P-C4' energy: -102.543
flat angles P-C4'-P energy: -75.536
tors. eta vs tors. theta energy: -133.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -1553.173857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.173857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.173857 (E_RNA)
where:
Base-Base interactions energy: -1065.880
where: short stacking energy: -454.377
Base-Backbone interact. energy: -1.206
local terms energy: -486.088066
where:
bonds (distance) C4'-P energy: -90.703
bonds (distance) P-C4' energy: -89.846
flat angles C4'-P-C4' energy: -111.883
flat angles P-C4'-P energy: -72.594
tors. eta vs tors. theta energy: -121.062
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: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -1548.207085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.207085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.207085 (E_RNA)
where:
Base-Base interactions energy: -1079.579
where: short stacking energy: -434.994
Base-Backbone interact. energy: -3.674
local terms energy: -464.953284
where:
bonds (distance) C4'-P energy: -80.968
bonds (distance) P-C4' energy: -95.697
flat angles C4'-P-C4' energy: -106.630
flat angles P-C4'-P energy: -79.801
tors. eta vs tors. theta energy: -101.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -1340.068298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.068298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.068298 (E_RNA)
where:
Base-Base interactions energy: -907.605
where: short stacking energy: -396.271
Base-Backbone interact. energy: -1.957
local terms energy: -430.506320
where:
bonds (distance) C4'-P energy: -91.578
bonds (distance) P-C4' energy: -85.524
flat angles C4'-P-C4' energy: -99.927
flat angles P-C4'-P energy: -48.878
tors. eta vs tors. theta energy: -104.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -1274.036996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.036996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.036996 (E_RNA)
where:
Base-Base interactions energy: -894.398
where: short stacking energy: -379.370
Base-Backbone interact. energy: 5.367
local terms energy: -385.006064
where:
bonds (distance) C4'-P energy: -82.731
bonds (distance) P-C4' energy: -73.493
flat angles C4'-P-C4' energy: -87.619
flat angles P-C4'-P energy: -60.701
tors. eta vs tors. theta energy: -80.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -1241.331261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.331261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.331261 (E_RNA)
where:
Base-Base interactions energy: -860.115
where: short stacking energy: -369.975
Base-Backbone interact. energy: 0.747
local terms energy: -381.962999
where:
bonds (distance) C4'-P energy: -70.500
bonds (distance) P-C4' energy: -82.161
flat angles C4'-P-C4' energy: -95.541
flat angles P-C4'-P energy: -58.021
tors. eta vs tors. theta energy: -75.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -853.767864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -853.767864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -853.767864 (E_RNA)
where:
Base-Base interactions energy: -517.986
where: short stacking energy: -241.146
Base-Backbone interact. energy: 3.916
local terms energy: -339.697458
where:
bonds (distance) C4'-P energy: -89.303
bonds (distance) P-C4' energy: -89.662
flat angles C4'-P-C4' energy: -91.235
flat angles P-C4'-P energy: -40.195
tors. eta vs tors. theta energy: -29.302
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: 175
Temperature: 0.900000
Total energy: -1960.077804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.077804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.077804 (E_RNA)
where:
Base-Base interactions energy: -1380.946
where: short stacking energy: -571.811
Base-Backbone interact. energy: -3.814
local terms energy: -575.317793
where:
bonds (distance) C4'-P energy: -106.057
bonds (distance) P-C4' energy: -107.113
flat angles C4'-P-C4' energy: -122.966
flat angles P-C4'-P energy: -84.776
tors. eta vs tors. theta energy: -154.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -1883.012809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.012809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.012809 (E_RNA)
where:
Base-Base interactions energy: -1351.064
where: short stacking energy: -521.416
Base-Backbone interact. energy: 3.311
local terms energy: -535.260302
where:
bonds (distance) C4'-P energy: -92.918
bonds (distance) P-C4' energy: -97.496
flat angles C4'-P-C4' energy: -114.839
flat angles P-C4'-P energy: -87.209
tors. eta vs tors. theta energy: -142.798
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: 175
Temperature: 1.000000
Total energy: -1795.372747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.372747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.372747 (E_RNA)
where:
Base-Base interactions energy: -1262.997
where: short stacking energy: -497.148
Base-Backbone interact. energy: -3.244
local terms energy: -529.132504
where:
bonds (distance) C4'-P energy: -96.635
bonds (distance) P-C4' energy: -102.782
flat angles C4'-P-C4' energy: -113.831
flat angles P-C4'-P energy: -79.170
tors. eta vs tors. theta energy: -136.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -1796.138575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.138575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.138575 (E_RNA)
where:
Base-Base interactions energy: -1263.082
where: short stacking energy: -530.438
Base-Backbone interact. energy: 2.155
local terms energy: -535.211746
where:
bonds (distance) C4'-P energy: -82.565
bonds (distance) P-C4' energy: -100.699
flat angles C4'-P-C4' energy: -126.748
flat angles P-C4'-P energy: -76.378
tors. eta vs tors. theta energy: -148.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -1532.904093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.904093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.904093 (E_RNA)
where:
Base-Base interactions energy: -1043.108
where: short stacking energy: -440.556
Base-Backbone interact. energy: -0.370
local terms energy: -489.426612
where:
bonds (distance) C4'-P energy: -82.074
bonds (distance) P-C4' energy: -107.268
flat angles C4'-P-C4' energy: -120.330
flat angles P-C4'-P energy: -72.498
tors. eta vs tors. theta energy: -107.255
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: 6, replica: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -1543.787077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1543.787077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1543.787077 (E_RNA)
where:
Base-Base interactions energy: -1074.795
where: short stacking energy: -459.333
Base-Backbone interact. energy: -0.700
local terms energy: -468.292483
where:
bonds (distance) C4'-P energy: -89.209
bonds (distance) P-C4' energy: -89.926
flat angles C4'-P-C4' energy: -111.634
flat angles P-C4'-P energy: -57.604
tors. eta vs tors. theta energy: -119.919
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: 7, replica: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -1359.852335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.852335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.852335 (E_RNA)
where:
Base-Base interactions energy: -921.817
where: short stacking energy: -412.373
Base-Backbone interact. energy: 2.473
local terms energy: -440.507644
where:
bonds (distance) C4'-P energy: -76.374
bonds (distance) P-C4' energy: -91.566
flat angles C4'-P-C4' energy: -99.985
flat angles P-C4'-P energy: -60.818
tors. eta vs tors. theta energy: -111.764
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: 6
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -1273.050888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.050888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.050888 (E_RNA)
where:
Base-Base interactions energy: -869.038
where: short stacking energy: -350.804
Base-Backbone interact. energy: -0.242
local terms energy: -403.771048
where:
bonds (distance) C4'-P energy: -89.241
bonds (distance) P-C4' energy: -79.360
flat angles C4'-P-C4' energy: -95.119
flat angles P-C4'-P energy: -47.695
tors. eta vs tors. theta energy: -92.356
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: 9, replica: 7
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -1216.682657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.682657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.682657 (E_RNA)
where:
Base-Base interactions energy: -833.301
where: short stacking energy: -330.648
Base-Backbone interact. energy: -0.740
local terms energy: -382.642147
where:
bonds (distance) C4'-P energy: -79.555
bonds (distance) P-C4' energy: -91.639
flat angles C4'-P-C4' energy: -98.317
flat angles P-C4'-P energy: -44.815
tors. eta vs tors. theta energy: -68.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -848.143459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.143459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.143459 (E_RNA)
where:
Base-Base interactions energy: -516.564
where: short stacking energy: -222.323
Base-Backbone interact. energy: -1.497
local terms energy: -330.082600
where:
bonds (distance) C4'-P energy: -68.516
bonds (distance) P-C4' energy: -94.350
flat angles C4'-P-C4' energy: -88.361
flat angles P-C4'-P energy: -51.980
tors. eta vs tors. theta energy: -26.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -1944.540796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.540796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.540796 (E_RNA)
where:
Base-Base interactions energy: -1395.120
where: short stacking energy: -567.020
Base-Backbone interact. energy: -1.099
local terms energy: -548.322015
where:
bonds (distance) C4'-P energy: -93.835
bonds (distance) P-C4' energy: -103.748
flat angles C4'-P-C4' energy: -119.613
flat angles P-C4'-P energy: -73.945
tors. eta vs tors. theta energy: -157.180
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: 2
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -1906.568129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.568129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.568129 (E_RNA)
where:
Base-Base interactions energy: -1362.274
where: short stacking energy: -536.132
Base-Backbone interact. energy: 2.030
local terms energy: -546.324654
where:
bonds (distance) C4'-P energy: -88.970
bonds (distance) P-C4' energy: -114.814
flat angles C4'-P-C4' energy: -115.424
flat angles P-C4'-P energy: -82.265
tors. eta vs tors. theta energy: -144.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -1796.486492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.486492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.486492 (E_RNA)
where:
Base-Base interactions energy: -1263.023
where: short stacking energy: -522.105
Base-Backbone interact. energy: -2.287
local terms energy: -531.176989
where:
bonds (distance) C4'-P energy: -91.577
bonds (distance) P-C4' energy: -93.349
flat angles C4'-P-C4' energy: -116.961
flat angles P-C4'-P energy: -79.827
tors. eta vs tors. theta energy: -149.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -1740.222669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.222669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.222669 (E_RNA)
where:
Base-Base interactions energy: -1251.840
where: short stacking energy: -513.101
Base-Backbone interact. energy: -3.677
local terms energy: -484.705780
where:
bonds (distance) C4'-P energy: -87.118
bonds (distance) P-C4' energy: -82.471
flat angles C4'-P-C4' energy: -112.506
flat angles P-C4'-P energy: -70.326
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: 5, replica: 8
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -1569.954501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.954501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.954501 (E_RNA)
where:
Base-Base interactions energy: -1085.194
where: short stacking energy: -460.797
Base-Backbone interact. energy: -2.449
local terms energy: -482.311904
where:
bonds (distance) C4'-P energy: -89.867
bonds (distance) P-C4' energy: -95.924
flat angles C4'-P-C4' energy: -111.751
flat angles P-C4'-P energy: -63.119
tors. eta vs tors. theta energy: -121.651
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: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -1534.665199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.665199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.665199 (E_RNA)
where:
Base-Base interactions energy: -1054.288
where: short stacking energy: -440.540
Base-Backbone interact. energy: -1.527
local terms energy: -478.850605
where:
bonds (distance) C4'-P energy: -95.453
bonds (distance) P-C4' energy: -70.254
flat angles C4'-P-C4' energy: -115.718
flat angles P-C4'-P energy: -73.627
tors. eta vs tors. theta energy: -123.800
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: 5
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -1324.758119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.758119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.758119 (E_RNA)
where:
Base-Base interactions energy: -890.166
where: short stacking energy: -387.399
Base-Backbone interact. energy: -0.404
local terms energy: -434.187532
where:
bonds (distance) C4'-P energy: -85.966
bonds (distance) P-C4' energy: -83.535
flat angles C4'-P-C4' energy: -95.545
flat angles P-C4'-P energy: -71.994
tors. eta vs tors. theta energy: -97.147
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: 8, replica: 6
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -1241.497844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.497844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.497844 (E_RNA)
where:
Base-Base interactions energy: -837.464
where: short stacking energy: -360.620
Base-Backbone interact. energy: -1.535
local terms energy: -402.498671
where:
bonds (distance) C4'-P energy: -88.387
bonds (distance) P-C4' energy: -85.242
flat angles C4'-P-C4' energy: -95.710
flat angles P-C4'-P energy: -47.110
tors. eta vs tors. theta energy: -86.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -1230.271756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.271756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.271756 (E_RNA)
where:
Base-Base interactions energy: -823.613
where: short stacking energy: -334.828
Base-Backbone interact. energy: 5.348
local terms energy: -412.006546
where:
bonds (distance) C4'-P energy: -94.702
bonds (distance) P-C4' energy: -82.786
flat angles C4'-P-C4' energy: -95.227
flat angles P-C4'-P energy: -65.406
tors. eta vs tors. theta energy: -73.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -837.474608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -837.474608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -837.474608 (E_RNA)
where:
Base-Base interactions energy: -500.660
where: short stacking energy: -241.668
Base-Backbone interact. energy: -3.890
local terms energy: -332.924107
where:
bonds (distance) C4'-P energy: -94.556
bonds (distance) P-C4' energy: -91.670
flat angles C4'-P-C4' energy: -70.841
flat angles P-C4'-P energy: -47.651
tors. eta vs tors. theta energy: -28.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -1986.319295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.319295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.319295 (E_RNA)
where:
Base-Base interactions energy: -1422.462
where: short stacking energy: -569.187
Base-Backbone interact. energy: -0.914
local terms energy: -562.942732
where:
bonds (distance) C4'-P energy: -94.540
bonds (distance) P-C4' energy: -100.662
flat angles C4'-P-C4' energy: -123.271
flat angles P-C4'-P energy: -84.394
tors. eta vs tors. theta energy: -160.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -1908.313634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.313634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.313634 (E_RNA)
where:
Base-Base interactions energy: -1355.634
where: short stacking energy: -542.086
Base-Backbone interact. energy: 0.112
local terms energy: -552.791929
where:
bonds (distance) C4'-P energy: -99.979
bonds (distance) P-C4' energy: -109.384
flat angles C4'-P-C4' energy: -117.794
flat angles P-C4'-P energy: -81.913
tors. eta vs tors. theta energy: -143.722
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: 3
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -1811.854511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.854511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.854511 (E_RNA)
where:
Base-Base interactions energy: -1287.321
where: short stacking energy: -515.993
Base-Backbone interact. energy: 2.885
local terms energy: -527.419069
where:
bonds (distance) C4'-P energy: -111.894
bonds (distance) P-C4' energy: -93.559
flat angles C4'-P-C4' energy: -113.775
flat angles P-C4'-P energy: -72.894
tors. eta vs tors. theta energy: -135.297
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: 1
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -1768.099035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.099035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.099035 (E_RNA)
where:
Base-Base interactions energy: -1253.195
where: short stacking energy: -512.478
Base-Backbone interact. energy: -1.745
local terms energy: -513.158712
where:
bonds (distance) C4'-P energy: -93.829
bonds (distance) P-C4' energy: -105.949
flat angles C4'-P-C4' energy: -106.472
flat angles P-C4'-P energy: -69.708
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: 8
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -1604.774310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1604.774310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1604.774310 (E_RNA)
where:
Base-Base interactions energy: -1143.105
where: short stacking energy: -482.994
Base-Backbone interact. energy: -2.199
local terms energy: -459.469992
where:
bonds (distance) C4'-P energy: -72.725
bonds (distance) P-C4' energy: -98.994
flat angles C4'-P-C4' energy: -105.861
flat angles P-C4'-P energy: -63.415
tors. eta vs tors. theta energy: -118.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -1585.192865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1585.192865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1585.192865 (E_RNA)
where:
Base-Base interactions energy: -1101.818
where: short stacking energy: -451.549
Base-Backbone interact. energy: -0.349
local terms energy: -483.026041
where:
bonds (distance) C4'-P energy: -97.839
bonds (distance) P-C4' energy: -97.121
flat angles C4'-P-C4' energy: -95.287
flat angles P-C4'-P energy: -71.069
tors. eta vs tors. theta energy: -121.711
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: 5
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -1328.321839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.321839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.321839 (E_RNA)
where:
Base-Base interactions energy: -915.468
where: short stacking energy: -388.064
Base-Backbone interact. energy: 0.223
local terms energy: -413.077061
where:
bonds (distance) C4'-P energy: -86.848
bonds (distance) P-C4' energy: -77.966
flat angles C4'-P-C4' energy: -87.297
flat angles P-C4'-P energy: -61.450
tors. eta vs tors. theta energy: -99.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -1264.850872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.850872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.850872 (E_RNA)
where:
Base-Base interactions energy: -881.006
where: short stacking energy: -344.530
Base-Backbone interact. energy: -1.602
local terms energy: -382.242127
where:
bonds (distance) C4'-P energy: -73.664
bonds (distance) P-C4' energy: -84.988
flat angles C4'-P-C4' energy: -94.000
flat angles P-C4'-P energy: -55.393
tors. eta vs tors. theta energy: -74.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -1219.365397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.365397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.365397 (E_RNA)
where:
Base-Base interactions energy: -820.827
where: short stacking energy: -357.653
Base-Backbone interact. energy: -1.790
local terms energy: -396.748215
where:
bonds (distance) C4'-P energy: -82.163
bonds (distance) P-C4' energy: -89.735
flat angles C4'-P-C4' energy: -86.873
flat angles P-C4'-P energy: -54.822
tors. eta vs tors. theta energy: -83.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -864.954739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.954739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.954739 (E_RNA)
where:
Base-Base interactions energy: -524.111
where: short stacking energy: -236.237
Base-Backbone interact. energy: -2.238
local terms energy: -338.606066
where:
bonds (distance) C4'-P energy: -88.056
bonds (distance) P-C4' energy: -94.297
flat angles C4'-P-C4' energy: -83.101
flat angles P-C4'-P energy: -40.772
tors. eta vs tors. theta energy: -32.380
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: 4
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -1973.602134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.602134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.602134 (E_RNA)
where:
Base-Base interactions energy: -1412.579
where: short stacking energy: -571.728
Base-Backbone interact. energy: -3.298
local terms energy: -557.725197
where:
bonds (distance) C4'-P energy: -102.020
bonds (distance) P-C4' energy: -96.798
flat angles C4'-P-C4' energy: -118.908
flat angles P-C4'-P energy: -82.539
tors. eta vs tors. theta energy: -157.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -1879.751483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.751483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.751483 (E_RNA)
where:
Base-Base interactions energy: -1364.641
where: short stacking energy: -526.856
Base-Backbone interact. energy: -1.449
local terms energy: -513.661642
where:
bonds (distance) C4'-P energy: -83.635
bonds (distance) P-C4' energy: -104.362
flat angles C4'-P-C4' energy: -120.666
flat angles P-C4'-P energy: -74.393
tors. eta vs tors. theta energy: -130.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -1773.443434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.443434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.443434 (E_RNA)
where:
Base-Base interactions energy: -1254.392
where: short stacking energy: -520.171
Base-Backbone interact. energy: -3.170
local terms energy: -515.881047
where:
bonds (distance) C4'-P energy: -97.558
bonds (distance) P-C4' energy: -91.224
flat angles C4'-P-C4' energy: -104.115
flat angles P-C4'-P energy: -77.217
tors. eta vs tors. theta energy: -145.768
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: 178
Temperature: 1.050000
Total energy: -1757.338110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.338110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.338110 (E_RNA)
where:
Base-Base interactions energy: -1257.451
where: short stacking energy: -497.719
Base-Backbone interact. energy: 7.093
local terms energy: -506.980475
where:
bonds (distance) C4'-P energy: -84.267
bonds (distance) P-C4' energy: -99.192
flat angles C4'-P-C4' energy: -105.531
flat angles P-C4'-P energy: -87.603
tors. eta vs tors. theta energy: -130.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -1578.920104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.920104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.920104 (E_RNA)
where:
Base-Base interactions energy: -1117.815
where: short stacking energy: -443.381
Base-Backbone interact. energy: -2.531
local terms energy: -458.574235
where:
bonds (distance) C4'-P energy: -81.389
bonds (distance) P-C4' energy: -93.478
flat angles C4'-P-C4' energy: -114.222
flat angles P-C4'-P energy: -59.970
tors. eta vs tors. theta energy: -109.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -1513.585458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1513.585458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1513.585458 (E_RNA)
where:
Base-Base interactions energy: -1035.931
where: short stacking energy: -428.209
Base-Backbone interact. energy: 0.050
local terms energy: -477.704634
where:
bonds (distance) C4'-P energy: -92.393
bonds (distance) P-C4' energy: -96.345
flat angles C4'-P-C4' energy: -102.703
flat angles P-C4'-P energy: -73.276
tors. eta vs tors. theta energy: -112.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -1335.681736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.681736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.681736 (E_RNA)
where:
Base-Base interactions energy: -911.671
where: short stacking energy: -397.326
Base-Backbone interact. energy: -1.228
local terms energy: -422.783098
where:
bonds (distance) C4'-P energy: -89.904
bonds (distance) P-C4' energy: -96.238
flat angles C4'-P-C4' energy: -91.051
flat angles P-C4'-P energy: -62.854
tors. eta vs tors. theta energy: -82.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -1322.267754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.267754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.267754 (E_RNA)
where:
Base-Base interactions energy: -888.304
where: short stacking energy: -353.861
Base-Backbone interact. energy: -0.595
local terms energy: -433.368592
where:
bonds (distance) C4'-P energy: -85.839
bonds (distance) P-C4' energy: -76.971
flat angles C4'-P-C4' energy: -104.126
flat angles P-C4'-P energy: -60.875
tors. eta vs tors. theta energy: -105.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -1252.803479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.803479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.803479 (E_RNA)
where:
Base-Base interactions energy: -845.129
where: short stacking energy: -385.767
Base-Backbone interact. energy: -0.860
local terms energy: -406.814040
where:
bonds (distance) C4'-P energy: -75.403
bonds (distance) P-C4' energy: -75.013
flat angles C4'-P-C4' energy: -95.720
flat angles P-C4'-P energy: -50.455
tors. eta vs tors. theta energy: -110.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -827.506081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.506081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.506081 (E_RNA)
where:
Base-Base interactions energy: -511.136
where: short stacking energy: -248.634
Base-Backbone interact. energy: 7.267
local terms energy: -323.637363
where:
bonds (distance) C4'-P energy: -85.487
bonds (distance) P-C4' energy: -97.237
flat angles C4'-P-C4' energy: -69.031
flat angles P-C4'-P energy: -35.576
tors. eta vs tors. theta energy: -36.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -1952.719052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.719052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.719052 (E_RNA)
where:
Base-Base interactions energy: -1417.529
where: short stacking energy: -566.510
Base-Backbone interact. energy: -0.471
local terms energy: -534.719146
where:
bonds (distance) C4'-P energy: -97.570
bonds (distance) P-C4' energy: -102.171
flat angles C4'-P-C4' energy: -112.555
flat angles P-C4'-P energy: -74.762
tors. eta vs tors. theta energy: -147.660
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: 2
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -1907.157124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.157124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.157124 (E_RNA)
where:
Base-Base interactions energy: -1357.641
where: short stacking energy: -524.691
Base-Backbone interact. energy: -3.850
local terms energy: -545.665565
where:
bonds (distance) C4'-P energy: -102.769
bonds (distance) P-C4' energy: -100.862
flat angles C4'-P-C4' energy: -118.041
flat angles P-C4'-P energy: -81.225
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: 3, replica: 3
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -1780.121670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.121670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.121670 (E_RNA)
where:
Base-Base interactions energy: -1269.140
where: short stacking energy: -529.460
Base-Backbone interact. energy: -1.271
local terms energy: -509.710935
where:
bonds (distance) C4'-P energy: -90.692
bonds (distance) P-C4' energy: -99.950
flat angles C4'-P-C4' energy: -108.259
flat angles P-C4'-P energy: -73.911
tors. eta vs tors. theta energy: -136.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -1758.093491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.093491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.093491 (E_RNA)
where:
Base-Base interactions energy: -1245.742
where: short stacking energy: -498.829
Base-Backbone interact. energy: -2.440
local terms energy: -509.911765
where:
bonds (distance) C4'-P energy: -91.117
bonds (distance) P-C4' energy: -105.503
flat angles C4'-P-C4' energy: -104.961
flat angles P-C4'-P energy: -71.100
tors. eta vs tors. theta energy: -137.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -1615.923889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.923889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.923889 (E_RNA)
where:
Base-Base interactions energy: -1126.545
where: short stacking energy: -477.701
Base-Backbone interact. energy: 0.055
local terms energy: -489.433796
where:
bonds (distance) C4'-P energy: -87.665
bonds (distance) P-C4' energy: -95.710
flat angles C4'-P-C4' energy: -109.764
flat angles P-C4'-P energy: -68.633
tors. eta vs tors. theta energy: -127.662
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: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -1458.134814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.134814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.134814 (E_RNA)
where:
Base-Base interactions energy: -1001.565
where: short stacking energy: -407.759
Base-Backbone interact. energy: -0.751
local terms energy: -455.819282
where:
bonds (distance) C4'-P energy: -82.711
bonds (distance) P-C4' energy: -96.938
flat angles C4'-P-C4' energy: -112.042
flat angles P-C4'-P energy: -59.151
tors. eta vs tors. theta energy: -104.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -1338.261021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.261021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.261021 (E_RNA)
where:
Base-Base interactions energy: -959.393
where: short stacking energy: -392.957
Base-Backbone interact. energy: 5.470
local terms energy: -384.338131
where:
bonds (distance) C4'-P energy: -70.583
bonds (distance) P-C4' energy: -91.104
flat angles C4'-P-C4' energy: -97.046
flat angles P-C4'-P energy: -52.297
tors. eta vs tors. theta energy: -73.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -1322.611025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.611025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.611025 (E_RNA)
where:
Base-Base interactions energy: -904.367
where: short stacking energy: -378.254
Base-Backbone interact. energy: -1.650
local terms energy: -416.594353
where:
bonds (distance) C4'-P energy: -81.658
bonds (distance) P-C4' energy: -92.584
flat angles C4'-P-C4' energy: -92.803
flat angles P-C4'-P energy: -55.917
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: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -1216.401350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.401350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.401350 (E_RNA)
where:
Base-Base interactions energy: -835.938
where: short stacking energy: -350.085
Base-Backbone interact. energy: -2.084
local terms energy: -378.378960
where:
bonds (distance) C4'-P energy: -68.517
bonds (distance) P-C4' energy: -88.628
flat angles C4'-P-C4' energy: -93.603
flat angles P-C4'-P energy: -47.318
tors. eta vs tors. theta energy: -80.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -823.733536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -823.733536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -823.733536 (E_RNA)
where:
Base-Base interactions energy: -500.557
where: short stacking energy: -246.428
Base-Backbone interact. energy: -1.635
local terms energy: -321.541247
where:
bonds (distance) C4'-P energy: -80.913
bonds (distance) P-C4' energy: -73.252
flat angles C4'-P-C4' energy: -75.886
flat angles P-C4'-P energy: -48.944
tors. eta vs tors. theta energy: -42.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -1942.684092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.684092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.684092 (E_RNA)
where:
Base-Base interactions energy: -1380.593
where: short stacking energy: -544.060
Base-Backbone interact. energy: 4.528
local terms energy: -566.619499
where:
bonds (distance) C4'-P energy: -114.524
bonds (distance) P-C4' energy: -110.087
flat angles C4'-P-C4' energy: -115.087
flat angles P-C4'-P energy: -82.238
tors. eta vs tors. theta energy: -144.683
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: 180
Temperature: 0.950000
Total energy: -1895.197390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.197390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.197390 (E_RNA)
where:
Base-Base interactions energy: -1360.774
where: short stacking energy: -533.470
Base-Backbone interact. energy: -0.314
local terms energy: -534.109544
where:
bonds (distance) C4'-P energy: -93.097
bonds (distance) P-C4' energy: -90.989
flat angles C4'-P-C4' energy: -110.867
flat angles P-C4'-P energy: -85.898
tors. eta vs tors. theta energy: -153.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -1831.996702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.996702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.996702 (E_RNA)
where:
Base-Base interactions energy: -1302.747
where: short stacking energy: -504.083
Base-Backbone interact. energy: -4.269
local terms energy: -524.980747
where:
bonds (distance) C4'-P energy: -96.658
bonds (distance) P-C4' energy: -87.673
flat angles C4'-P-C4' energy: -122.203
flat angles P-C4'-P energy: -75.425
tors. eta vs tors. theta energy: -143.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -1714.727374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.727374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.727374 (E_RNA)
where:
Base-Base interactions energy: -1206.274
where: short stacking energy: -496.128
Base-Backbone interact. energy: -2.773
local terms energy: -505.680469
where:
bonds (distance) C4'-P energy: -98.811
bonds (distance) P-C4' energy: -81.254
flat angles C4'-P-C4' energy: -114.159
flat angles P-C4'-P energy: -75.910
tors. eta vs tors. theta energy: -135.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -1619.709223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.709223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.709223 (E_RNA)
where:
Base-Base interactions energy: -1158.268
where: short stacking energy: -477.128
Base-Backbone interact. energy: -0.107
local terms energy: -461.334552
where:
bonds (distance) C4'-P energy: -80.043
bonds (distance) P-C4' energy: -86.675
flat angles C4'-P-C4' energy: -95.746
flat angles P-C4'-P energy: -71.539
tors. eta vs tors. theta energy: -127.332
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: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -1528.245769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1528.245769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1528.245769 (E_RNA)
where:
Base-Base interactions energy: -1070.318
where: short stacking energy: -452.144
Base-Backbone interact. energy: -2.201
local terms energy: -455.726817
where:
bonds (distance) C4'-P energy: -81.085
bonds (distance) P-C4' energy: -86.449
flat angles C4'-P-C4' energy: -102.146
flat angles P-C4'-P energy: -65.206
tors. eta vs tors. theta energy: -120.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -1366.214545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.214545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.214545 (E_RNA)
where:
Base-Base interactions energy: -912.200
where: short stacking energy: -378.657
Base-Backbone interact. energy: -0.671
local terms energy: -453.343429
where:
bonds (distance) C4'-P energy: -99.546
bonds (distance) P-C4' energy: -96.724
flat angles C4'-P-C4' energy: -105.081
flat angles P-C4'-P energy: -58.777
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: 8, replica: 7
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -1275.151611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.151611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.151611 (E_RNA)
where:
Base-Base interactions energy: -879.345
where: short stacking energy: -344.224
Base-Backbone interact. energy: 2.012
local terms energy: -397.818552
where:
bonds (distance) C4'-P energy: -77.024
bonds (distance) P-C4' energy: -89.706
flat angles C4'-P-C4' energy: -87.254
flat angles P-C4'-P energy: -65.031
tors. eta vs tors. theta energy: -78.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -1216.961247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1216.961247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1216.961247 (E_RNA)
where:
Base-Base interactions energy: -870.313
where: short stacking energy: -355.803
Base-Backbone interact. energy: 1.096
local terms energy: -347.744557
where:
bonds (distance) C4'-P energy: -61.403
bonds (distance) P-C4' energy: -71.863
flat angles C4'-P-C4' energy: -77.093
flat angles P-C4'-P energy: -60.888
tors. eta vs tors. theta energy: -76.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -830.499075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -830.499075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -830.499075 (E_RNA)
where:
Base-Base interactions energy: -501.311
where: short stacking energy: -227.680
Base-Backbone interact. energy: -3.431
local terms energy: -325.757467
where:
bonds (distance) C4'-P energy: -84.751
bonds (distance) P-C4' energy: -92.803
flat angles C4'-P-C4' energy: -79.029
flat angles P-C4'-P energy: -39.791
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: 4
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -1953.941024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.941024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.941024 (E_RNA)
where:
Base-Base interactions energy: -1406.793
where: short stacking energy: -573.704
Base-Backbone interact. energy: 4.666
local terms energy: -551.813569
where:
bonds (distance) C4'-P energy: -99.869
bonds (distance) P-C4' energy: -102.589
flat angles C4'-P-C4' energy: -121.284
flat angles P-C4'-P energy: -77.444
tors. eta vs tors. theta energy: -150.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -1878.451780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.451780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.451780 (E_RNA)
where:
Base-Base interactions energy: -1352.474
where: short stacking energy: -527.021
Base-Backbone interact. energy: -1.307
local terms energy: -524.671118
where:
bonds (distance) C4'-P energy: -93.983
bonds (distance) P-C4' energy: -93.779
flat angles C4'-P-C4' energy: -110.937
flat angles P-C4'-P energy: -81.986
tors. eta vs tors. theta energy: -143.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -1793.476835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.476835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.476835 (E_RNA)
where:
Base-Base interactions energy: -1265.445
where: short stacking energy: -517.059
Base-Backbone interact. energy: 2.640
local terms energy: -530.672072
where:
bonds (distance) C4'-P energy: -91.963
bonds (distance) P-C4' energy: -103.226
flat angles C4'-P-C4' energy: -114.072
flat angles P-C4'-P energy: -75.207
tors. eta vs tors. theta energy: -146.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -1706.736192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.736192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.736192 (E_RNA)
where:
Base-Base interactions energy: -1218.083
where: short stacking energy: -497.942
Base-Backbone interact. energy: -1.639
local terms energy: -487.014347
where:
bonds (distance) C4'-P energy: -94.070
bonds (distance) P-C4' energy: -91.027
flat angles C4'-P-C4' energy: -98.657
flat angles P-C4'-P energy: -67.399
tors. eta vs tors. theta energy: -135.862
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: 5, replica: 8
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -1574.977716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1574.977716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1574.977716 (E_RNA)
where:
Base-Base interactions energy: -1096.782
where: short stacking energy: -424.055
Base-Backbone interact. energy: -0.843
local terms energy: -477.353561
where:
bonds (distance) C4'-P energy: -83.941
bonds (distance) P-C4' energy: -106.003
flat angles C4'-P-C4' energy: -110.017
flat angles P-C4'-P energy: -60.638
tors. eta vs tors. theta energy: -116.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -1512.203233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.203233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.203233 (E_RNA)
where:
Base-Base interactions energy: -1033.756
where: short stacking energy: -448.045
Base-Backbone interact. energy: -1.325
local terms energy: -477.122247
where:
bonds (distance) C4'-P energy: -83.678
bonds (distance) P-C4' energy: -86.930
flat angles C4'-P-C4' energy: -103.869
flat angles P-C4'-P energy: -84.934
tors. eta vs tors. theta energy: -117.711
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: 5
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -1373.411624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.411624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.411624 (E_RNA)
where:
Base-Base interactions energy: -971.245
where: short stacking energy: -400.403
Base-Backbone interact. energy: -1.911
local terms energy: -400.255812
where:
bonds (distance) C4'-P energy: -89.767
bonds (distance) P-C4' energy: -81.412
flat angles C4'-P-C4' energy: -85.472
flat angles P-C4'-P energy: -59.911
tors. eta vs tors. theta energy: -83.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -1321.034758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.034758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.034758 (E_RNA)
where:
Base-Base interactions energy: -908.542
where: short stacking energy: -377.272
Base-Backbone interact. energy: -1.972
local terms energy: -410.520184
where:
bonds (distance) C4'-P energy: -70.481
bonds (distance) P-C4' energy: -89.981
flat angles C4'-P-C4' energy: -94.629
flat angles P-C4'-P energy: -70.036
tors. eta vs tors. theta energy: -85.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -1181.516625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.516625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.516625 (E_RNA)
where:
Base-Base interactions energy: -821.613
where: short stacking energy: -350.677
Base-Backbone interact. energy: -1.359
local terms energy: -358.544099
where:
bonds (distance) C4'-P energy: -84.211
bonds (distance) P-C4' energy: -86.614
flat angles C4'-P-C4' energy: -78.076
flat angles P-C4'-P energy: -41.053
tors. eta vs tors. theta energy: -68.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -845.420068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.420068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.420068 (E_RNA)
where:
Base-Base interactions energy: -506.455
where: short stacking energy: -211.958
Base-Backbone interact. energy: -1.299
local terms energy: -337.665508
where:
bonds (distance) C4'-P energy: -83.314
bonds (distance) P-C4' energy: -99.367
flat angles C4'-P-C4' energy: -79.203
flat angles P-C4'-P energy: -45.209
tors. eta vs tors. theta energy: -30.573
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: 1, replica: 4
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -1951.059764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.059764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.059764 (E_RNA)
where:
Base-Base interactions energy: -1406.342
where: short stacking energy: -547.453
Base-Backbone interact. energy: 5.354
local terms energy: -550.071676
where:
bonds (distance) C4'-P energy: -88.087
bonds (distance) P-C4' energy: -105.963
flat angles C4'-P-C4' energy: -118.694
flat angles P-C4'-P energy: -84.950
tors. eta vs tors. theta energy: -152.377
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: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -1866.742619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.742619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.742619 (E_RNA)
where:
Base-Base interactions energy: -1348.433
where: short stacking energy: -534.371
Base-Backbone interact. energy: 1.296
local terms energy: -519.605092
where:
bonds (distance) C4'-P energy: -85.271
bonds (distance) P-C4' energy: -93.801
flat angles C4'-P-C4' energy: -118.045
flat angles P-C4'-P energy: -79.623
tors. eta vs tors. theta energy: -142.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -1798.254152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.254152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.254152 (E_RNA)
where:
Base-Base interactions energy: -1295.207
where: short stacking energy: -512.425
Base-Backbone interact. energy: -0.932
local terms energy: -502.114573
where:
bonds (distance) C4'-P energy: -76.719
bonds (distance) P-C4' energy: -101.588
flat angles C4'-P-C4' energy: -107.921
flat angles P-C4'-P energy: -80.147
tors. eta vs tors. theta energy: -135.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -1725.296756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.296756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.296756 (E_RNA)
where:
Base-Base interactions energy: -1216.489
where: short stacking energy: -487.934
Base-Backbone interact. energy: -1.345
local terms energy: -507.462031
where:
bonds (distance) C4'-P energy: -102.635
bonds (distance) P-C4' energy: -88.151
flat angles C4'-P-C4' energy: -112.387
flat angles P-C4'-P energy: -83.402
tors. eta vs tors. theta energy: -120.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -1581.514717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.514717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.514717 (E_RNA)
where:
Base-Base interactions energy: -1093.898
where: short stacking energy: -449.883
Base-Backbone interact. energy: -1.575
local terms energy: -486.041184
where:
bonds (distance) C4'-P energy: -93.080
bonds (distance) P-C4' energy: -94.741
flat angles C4'-P-C4' energy: -103.233
flat angles P-C4'-P energy: -88.430
tors. eta vs tors. theta energy: -106.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -1522.967985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.967985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.967985 (E_RNA)
where:
Base-Base interactions energy: -1043.512
where: short stacking energy: -447.874
Base-Backbone interact. energy: -2.588
local terms energy: -476.867918
where:
bonds (distance) C4'-P energy: -92.487
bonds (distance) P-C4' energy: -91.051
flat angles C4'-P-C4' energy: -110.273
flat angles P-C4'-P energy: -54.079
tors. eta vs tors. theta energy: -128.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -1378.829561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.829561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.829561 (E_RNA)
where:
Base-Base interactions energy: -960.539
where: short stacking energy: -420.386
Base-Backbone interact. energy: -0.340
local terms energy: -417.950425
where:
bonds (distance) C4'-P energy: -89.610
bonds (distance) P-C4' energy: -81.194
flat angles C4'-P-C4' energy: -100.370
flat angles P-C4'-P energy: -46.917
tors. eta vs tors. theta energy: -99.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -1309.509226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.509226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.509226 (E_RNA)
where:
Base-Base interactions energy: -905.357
where: short stacking energy: -371.368
Base-Backbone interact. energy: 2.394
local terms energy: -406.547040
where:
bonds (distance) C4'-P energy: -80.798
bonds (distance) P-C4' energy: -98.439
flat angles C4'-P-C4' energy: -91.803
flat angles P-C4'-P energy: -63.421
tors. eta vs tors. theta energy: -72.086
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: 6
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -1181.256698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.256698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.256698 (E_RNA)
where:
Base-Base interactions energy: -792.828
where: short stacking energy: -326.664
Base-Backbone interact. energy: 1.931
local terms energy: -390.360240
where:
bonds (distance) C4'-P energy: -86.644
bonds (distance) P-C4' energy: -93.768
flat angles C4'-P-C4' energy: -84.745
flat angles P-C4'-P energy: -59.805
tors. eta vs tors. theta energy: -65.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -788.458268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -788.458268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -788.458268 (E_RNA)
where:
Base-Base interactions energy: -465.584
where: short stacking energy: -228.621
Base-Backbone interact. energy: -2.239
local terms energy: -320.635137
where:
bonds (distance) C4'-P energy: -81.798
bonds (distance) P-C4' energy: -75.835
flat angles C4'-P-C4' energy: -81.430
flat angles P-C4'-P energy: -60.100
tors. eta vs tors. theta energy: -21.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -1966.957576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.957576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.957576 (E_RNA)
where:
Base-Base interactions energy: -1417.672
where: short stacking energy: -579.929
Base-Backbone interact. energy: 3.576
local terms energy: -552.861914
where:
bonds (distance) C4'-P energy: -100.870
bonds (distance) P-C4' energy: -94.297
flat angles C4'-P-C4' energy: -121.408
flat angles P-C4'-P energy: -82.842
tors. eta vs tors. theta energy: -153.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -1819.627811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.627811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.627811 (E_RNA)
where:
Base-Base interactions energy: -1292.386
where: short stacking energy: -555.871
Base-Backbone interact. energy: -3.827
local terms energy: -523.414941
where:
bonds (distance) C4'-P energy: -87.679
bonds (distance) P-C4' energy: -90.906
flat angles C4'-P-C4' energy: -108.020
flat angles P-C4'-P energy: -86.033
tors. eta vs tors. theta energy: -150.776
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: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -1848.919612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.919612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.919612 (E_RNA)
where:
Base-Base interactions energy: -1329.084
where: short stacking energy: -514.521
Base-Backbone interact. energy: -1.216
local terms energy: -518.620159
where:
bonds (distance) C4'-P energy: -94.622
bonds (distance) P-C4' energy: -96.037
flat angles C4'-P-C4' energy: -112.875
flat angles P-C4'-P energy: -70.189
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: 4, replica: 3
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -1718.201825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.201825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.201825 (E_RNA)
where:
Base-Base interactions energy: -1228.640
where: short stacking energy: -489.819
Base-Backbone interact. energy: -2.426
local terms energy: -487.136731
where:
bonds (distance) C4'-P energy: -93.942
bonds (distance) P-C4' energy: -92.968
flat angles C4'-P-C4' energy: -108.853
flat angles P-C4'-P energy: -67.110
tors. eta vs tors. theta energy: -124.264
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: 8
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -1588.907882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1588.907882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1588.907882 (E_RNA)
where:
Base-Base interactions energy: -1131.709
where: short stacking energy: -462.276
Base-Backbone interact. energy: 2.273
local terms energy: -459.472653
where:
bonds (distance) C4'-P energy: -83.403
bonds (distance) P-C4' energy: -99.613
flat angles C4'-P-C4' energy: -105.950
flat angles P-C4'-P energy: -48.701
tors. eta vs tors. theta energy: -121.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -1479.153855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.153855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.153855 (E_RNA)
where:
Base-Base interactions energy: -1031.880
where: short stacking energy: -422.215
Base-Backbone interact. energy: -0.901
local terms energy: -446.372647
where:
bonds (distance) C4'-P energy: -86.971
bonds (distance) P-C4' energy: -93.724
flat angles C4'-P-C4' energy: -97.973
flat angles P-C4'-P energy: -62.340
tors. eta vs tors. theta energy: -105.364
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: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -1330.163632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.163632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.163632 (E_RNA)
where:
Base-Base interactions energy: -878.396
where: short stacking energy: -382.364
Base-Backbone interact. energy: 3.913
local terms energy: -455.681310
where:
bonds (distance) C4'-P energy: -89.333
bonds (distance) P-C4' energy: -91.033
flat angles C4'-P-C4' energy: -98.207
flat angles P-C4'-P energy: -76.630
tors. eta vs tors. theta energy: -100.480
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: 8, replica: 5
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -1276.769599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.769599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.769599 (E_RNA)
where:
Base-Base interactions energy: -888.004
where: short stacking energy: -362.406
Base-Backbone interact. energy: -0.743
local terms energy: -388.022493
where:
bonds (distance) C4'-P energy: -88.162
bonds (distance) P-C4' energy: -73.331
flat angles C4'-P-C4' energy: -102.580
flat angles P-C4'-P energy: -46.851
tors. eta vs tors. theta energy: -77.098
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: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -1141.407306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.407306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.407306 (E_RNA)
where:
Base-Base interactions energy: -780.834
where: short stacking energy: -336.482
Base-Backbone interact. energy: 6.660
local terms energy: -367.233202
where:
bonds (distance) C4'-P energy: -68.860
bonds (distance) P-C4' energy: -76.100
flat angles C4'-P-C4' energy: -80.140
flat angles P-C4'-P energy: -72.442
tors. eta vs tors. theta energy: -69.691
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: 10
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -868.114839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -868.114839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -868.114839 (E_RNA)
where:
Base-Base interactions energy: -543.237
where: short stacking energy: -247.093
Base-Backbone interact. energy: 1.378
local terms energy: -326.255409
where:
bonds (distance) C4'-P energy: -78.855
bonds (distance) P-C4' energy: -74.052
flat angles C4'-P-C4' energy: -85.467
flat angles P-C4'-P energy: -61.978
tors. eta vs tors. theta energy: -25.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -2004.554387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -2004.554387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -2004.554387 (E_RNA)
where:
Base-Base interactions energy: -1441.796
where: short stacking energy: -580.303
Base-Backbone interact. energy: 3.597
local terms energy: -566.355201
where:
bonds (distance) C4'-P energy: -105.741
bonds (distance) P-C4' energy: -94.410
flat angles C4'-P-C4' energy: -124.560
flat angles P-C4'-P energy: -90.124
tors. eta vs tors. theta energy: -151.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -1851.494514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.494514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.494514 (E_RNA)
where:
Base-Base interactions energy: -1315.791
where: short stacking energy: -543.747
Base-Backbone interact. energy: -2.502
local terms energy: -533.202010
where:
bonds (distance) C4'-P energy: -100.060
bonds (distance) P-C4' energy: -97.900
flat angles C4'-P-C4' energy: -107.829
flat angles P-C4'-P energy: -80.055
tors. eta vs tors. theta energy: -147.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -1821.701733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.701733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.701733 (E_RNA)
where:
Base-Base interactions energy: -1289.937
where: short stacking energy: -527.706
Base-Backbone interact. energy: -0.069
local terms energy: -531.695956
where:
bonds (distance) C4'-P energy: -88.822
bonds (distance) P-C4' energy: -109.284
flat angles C4'-P-C4' energy: -108.279
flat angles P-C4'-P energy: -76.800
tors. eta vs tors. theta energy: -148.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -1764.095877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.095877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.095877 (E_RNA)
where:
Base-Base interactions energy: -1234.410
where: short stacking energy: -495.140
Base-Backbone interact. energy: -3.589
local terms energy: -526.096936
where:
bonds (distance) C4'-P energy: -99.837
bonds (distance) P-C4' energy: -103.984
flat angles C4'-P-C4' energy: -108.540
flat angles P-C4'-P energy: -74.663
tors. eta vs tors. theta energy: -139.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -1632.513422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.513422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.513422 (E_RNA)
where:
Base-Base interactions energy: -1130.842
where: short stacking energy: -486.039
Base-Backbone interact. energy: -1.769
local terms energy: -499.902351
where:
bonds (distance) C4'-P energy: -87.823
bonds (distance) P-C4' energy: -95.657
flat angles C4'-P-C4' energy: -110.560
flat angles P-C4'-P energy: -73.170
tors. eta vs tors. theta energy: -132.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -1525.515632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.515632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.515632 (E_RNA)
where:
Base-Base interactions energy: -1060.388
where: short stacking energy: -434.946
Base-Backbone interact. energy: 2.396
local terms energy: -467.523982
where:
bonds (distance) C4'-P energy: -88.133
bonds (distance) P-C4' energy: -88.853
flat angles C4'-P-C4' energy: -101.932
flat angles P-C4'-P energy: -68.666
tors. eta vs tors. theta energy: -119.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -1366.449945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.449945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.449945 (E_RNA)
where:
Base-Base interactions energy: -946.727
where: short stacking energy: -400.106
Base-Backbone interact. energy: -0.980
local terms energy: -418.742961
where:
bonds (distance) C4'-P energy: -73.045
bonds (distance) P-C4' energy: -88.515
flat angles C4'-P-C4' energy: -95.453
flat angles P-C4'-P energy: -68.103
tors. eta vs tors. theta energy: -93.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -1313.967531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.967531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.967531 (E_RNA)
where:
Base-Base interactions energy: -898.913
where: short stacking energy: -382.647
Base-Backbone interact. energy: -1.357
local terms energy: -413.697723
where:
bonds (distance) C4'-P energy: -86.369
bonds (distance) P-C4' energy: -75.498
flat angles C4'-P-C4' energy: -102.669
flat angles P-C4'-P energy: -58.181
tors. eta vs tors. theta energy: -90.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -1181.776365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.776365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.776365 (E_RNA)
where:
Base-Base interactions energy: -780.377
where: short stacking energy: -343.316
Base-Backbone interact. energy: -3.025
local terms energy: -398.373633
where:
bonds (distance) C4'-P energy: -87.690
bonds (distance) P-C4' energy: -89.303
flat angles C4'-P-C4' energy: -92.391
flat angles P-C4'-P energy: -57.656
tors. eta vs tors. theta energy: -71.334
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: 10
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -885.424061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -885.424061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -885.424061 (E_RNA)
where:
Base-Base interactions energy: -554.449
where: short stacking energy: -263.874
Base-Backbone interact. energy: -0.906
local terms energy: -330.069224
where:
bonds (distance) C4'-P energy: -97.464
bonds (distance) P-C4' energy: -85.969
flat angles C4'-P-C4' energy: -86.178
flat angles P-C4'-P energy: -26.963
tors. eta vs tors. theta energy: -33.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -1972.654499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.654499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.654499 (E_RNA)
where:
Base-Base interactions energy: -1410.951
where: short stacking energy: -583.746
Base-Backbone interact. energy: 5.598
local terms energy: -567.301755
where:
bonds (distance) C4'-P energy: -103.779
bonds (distance) P-C4' energy: -103.593
flat angles C4'-P-C4' energy: -114.186
flat angles P-C4'-P energy: -92.541
tors. eta vs tors. theta energy: -153.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -1849.597760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.597760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.597760 (E_RNA)
where:
Base-Base interactions energy: -1312.601
where: short stacking energy: -516.369
Base-Backbone interact. energy: -0.438
local terms energy: -536.558620
where:
bonds (distance) C4'-P energy: -99.975
bonds (distance) P-C4' energy: -97.842
flat angles C4'-P-C4' energy: -119.475
flat angles P-C4'-P energy: -69.476
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: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -1810.595907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.595907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.595907 (E_RNA)
where:
Base-Base interactions energy: -1302.648
where: short stacking energy: -480.361
Base-Backbone interact. energy: -4.852
local terms energy: -503.096482
where:
bonds (distance) C4'-P energy: -86.938
bonds (distance) P-C4' energy: -96.178
flat angles C4'-P-C4' energy: -101.520
flat angles P-C4'-P energy: -84.406
tors. eta vs tors. theta energy: -134.054
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: 4, replica: 3
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -1759.716144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.716144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.716144 (E_RNA)
where:
Base-Base interactions energy: -1250.069
where: short stacking energy: -505.787
Base-Backbone interact. energy: -2.983
local terms energy: -506.664164
where:
bonds (distance) C4'-P energy: -99.572
bonds (distance) P-C4' energy: -91.692
flat angles C4'-P-C4' energy: -100.897
flat angles P-C4'-P energy: -76.533
tors. eta vs tors. theta energy: -137.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -1635.840818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.840818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.840818 (E_RNA)
where:
Base-Base interactions energy: -1142.644
where: short stacking energy: -471.609
Base-Backbone interact. energy: -0.767
local terms energy: -492.429220
where:
bonds (distance) C4'-P energy: -92.554
bonds (distance) P-C4' energy: -100.266
flat angles C4'-P-C4' energy: -110.428
flat angles P-C4'-P energy: -64.266
tors. eta vs tors. theta energy: -124.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -1555.597638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.597638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.597638 (E_RNA)
where:
Base-Base interactions energy: -1082.724
where: short stacking energy: -442.747
Base-Backbone interact. energy: 0.529
local terms energy: -473.401905
where:
bonds (distance) C4'-P energy: -84.564
bonds (distance) P-C4' energy: -101.303
flat angles C4'-P-C4' energy: -90.030
flat angles P-C4'-P energy: -72.764
tors. eta vs tors. theta energy: -124.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -1363.562778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.562778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.562778 (E_RNA)
where:
Base-Base interactions energy: -946.754
where: short stacking energy: -405.950
Base-Backbone interact. energy: 3.676
local terms energy: -420.484980
where:
bonds (distance) C4'-P energy: -80.988
bonds (distance) P-C4' energy: -83.086
flat angles C4'-P-C4' energy: -94.314
flat angles P-C4'-P energy: -79.783
tors. eta vs tors. theta energy: -82.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -1304.754772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.754772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.754772 (E_RNA)
where:
Base-Base interactions energy: -890.156
where: short stacking energy: -382.334
Base-Backbone interact. energy: -0.349
local terms energy: -414.249393
where:
bonds (distance) C4'-P energy: -89.932
bonds (distance) P-C4' energy: -91.696
flat angles C4'-P-C4' energy: -92.871
flat angles P-C4'-P energy: -52.149
tors. eta vs tors. theta energy: -87.602
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: 9, replica: 6
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -1128.705754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.705754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.705754 (E_RNA)
where:
Base-Base interactions energy: -778.342
where: short stacking energy: -326.718
Base-Backbone interact. energy: -3.032
local terms energy: -347.332355
where:
bonds (distance) C4'-P energy: -87.310
bonds (distance) P-C4' energy: -73.673
flat angles C4'-P-C4' energy: -83.851
flat angles P-C4'-P energy: -44.439
tors. eta vs tors. theta energy: -58.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -908.753159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.753159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.753159 (E_RNA)
where:
Base-Base interactions energy: -574.310
where: short stacking energy: -270.236
Base-Backbone interact. energy: -0.790
local terms energy: -333.652924
where:
bonds (distance) C4'-P energy: -82.600
bonds (distance) P-C4' energy: -77.964
flat angles C4'-P-C4' energy: -92.981
flat angles P-C4'-P energy: -40.321
tors. eta vs tors. theta energy: -39.787
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: 4
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -1936.063739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.063739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.063739 (E_RNA)
where:
Base-Base interactions energy: -1390.753
where: short stacking energy: -565.726
Base-Backbone interact. energy: 3.746
local terms energy: -549.057224
where:
bonds (distance) C4'-P energy: -92.250
bonds (distance) P-C4' energy: -96.488
flat angles C4'-P-C4' energy: -125.245
flat angles P-C4'-P energy: -83.804
tors. eta vs tors. theta energy: -151.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -1840.683658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.683658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.683658 (E_RNA)
where:
Base-Base interactions energy: -1276.354
where: short stacking energy: -529.188
Base-Backbone interact. energy: -3.099
local terms energy: -561.229986
where:
bonds (distance) C4'-P energy: -93.784
bonds (distance) P-C4' energy: -112.671
flat angles C4'-P-C4' energy: -121.092
flat angles P-C4'-P energy: -78.762
tors. eta vs tors. theta energy: -154.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -1833.336129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.336129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.336129 (E_RNA)
where:
Base-Base interactions energy: -1333.690
where: short stacking energy: -511.133
Base-Backbone interact. energy: -0.331
local terms energy: -499.315332
where:
bonds (distance) C4'-P energy: -100.607
bonds (distance) P-C4' energy: -80.545
flat angles C4'-P-C4' energy: -100.817
flat angles P-C4'-P energy: -90.576
tors. eta vs tors. theta energy: -126.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -1735.256754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.256754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.256754 (E_RNA)
where:
Base-Base interactions energy: -1233.121
where: short stacking energy: -500.461
Base-Backbone interact. energy: 0.230
local terms energy: -502.366024
where:
bonds (distance) C4'-P energy: -89.884
bonds (distance) P-C4' energy: -96.101
flat angles C4'-P-C4' energy: -114.381
flat angles P-C4'-P energy: -59.234
tors. eta vs tors. theta energy: -142.767
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: 8
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -1608.191368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.191368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.191368 (E_RNA)
where:
Base-Base interactions energy: -1158.871
where: short stacking energy: -462.461
Base-Backbone interact. energy: -2.280
local terms energy: -447.040705
where:
bonds (distance) C4'-P energy: -77.718
bonds (distance) P-C4' energy: -95.338
flat angles C4'-P-C4' energy: -102.229
flat angles P-C4'-P energy: -59.151
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: 6, replica: 9
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -1492.447795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.447795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.447795 (E_RNA)
where:
Base-Base interactions energy: -1049.404
where: short stacking energy: -440.333
Base-Backbone interact. energy: 0.584
local terms energy: -443.628243
where:
bonds (distance) C4'-P energy: -72.252
bonds (distance) P-C4' energy: -99.162
flat angles C4'-P-C4' energy: -96.117
flat angles P-C4'-P energy: -51.029
tors. eta vs tors. theta energy: -125.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -1377.056703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.056703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.056703 (E_RNA)
where:
Base-Base interactions energy: -944.603
where: short stacking energy: -405.166
Base-Backbone interact. energy: -1.177
local terms energy: -431.276221
where:
bonds (distance) C4'-P energy: -93.606
bonds (distance) P-C4' energy: -77.486
flat angles C4'-P-C4' energy: -97.310
flat angles P-C4'-P energy: -65.086
tors. eta vs tors. theta energy: -97.788
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: 186
Temperature: 1.250000
Total energy: -1303.477893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.477893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.477893 (E_RNA)
where:
Base-Base interactions energy: -880.718
where: short stacking energy: -353.554
Base-Backbone interact. energy: 5.587
local terms energy: -428.347114
where:
bonds (distance) C4'-P energy: -85.028
bonds (distance) P-C4' energy: -87.166
flat angles C4'-P-C4' energy: -105.469
flat angles P-C4'-P energy: -74.923
tors. eta vs tors. theta energy: -75.761
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: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -1114.432467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.432467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.432467 (E_RNA)
where:
Base-Base interactions energy: -759.418
where: short stacking energy: -320.629
Base-Backbone interact. energy: -3.082
local terms energy: -351.932492
where:
bonds (distance) C4'-P energy: -76.076
bonds (distance) P-C4' energy: -84.599
flat angles C4'-P-C4' energy: -91.048
flat angles P-C4'-P energy: -46.401
tors. eta vs tors. theta energy: -53.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -862.287948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -862.287948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -862.287948 (E_RNA)
where:
Base-Base interactions energy: -523.512
where: short stacking energy: -219.049
Base-Backbone interact. energy: 1.765
local terms energy: -340.540900
where:
bonds (distance) C4'-P energy: -77.959
bonds (distance) P-C4' energy: -90.230
flat angles C4'-P-C4' energy: -75.760
flat angles P-C4'-P energy: -53.316
tors. eta vs tors. theta energy: -43.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -1957.561775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.561775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.561775 (E_RNA)
where:
Base-Base interactions energy: -1402.081
where: short stacking energy: -567.951
Base-Backbone interact. energy: -3.219
local terms energy: -552.261904
where:
bonds (distance) C4'-P energy: -99.223
bonds (distance) P-C4' energy: -95.222
flat angles C4'-P-C4' energy: -121.201
flat angles P-C4'-P energy: -80.264
tors. eta vs tors. theta energy: -156.351
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: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -1867.374572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.374572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.374572 (E_RNA)
where:
Base-Base interactions energy: -1334.400
where: short stacking energy: -523.236
Base-Backbone interact. energy: 0.355
local terms energy: -533.329202
where:
bonds (distance) C4'-P energy: -99.700
bonds (distance) P-C4' energy: -99.284
flat angles C4'-P-C4' energy: -115.488
flat angles P-C4'-P energy: -77.262
tors. eta vs tors. theta energy: -141.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -1820.916306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.916306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.916306 (E_RNA)
where:
Base-Base interactions energy: -1285.442
where: short stacking energy: -541.188
Base-Backbone interact. energy: -2.213
local terms energy: -533.261287
where:
bonds (distance) C4'-P energy: -110.614
bonds (distance) P-C4' energy: -80.843
flat angles C4'-P-C4' energy: -107.445
flat angles P-C4'-P energy: -80.660
tors. eta vs tors. theta energy: -153.700
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: 187
Temperature: 1.050000
Total energy: -1762.230861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.230861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.230861 (E_RNA)
where:
Base-Base interactions energy: -1236.593
where: short stacking energy: -503.283
Base-Backbone interact. energy: -2.766
local terms energy: -522.871888
where:
bonds (distance) C4'-P energy: -94.213
bonds (distance) P-C4' energy: -95.632
flat angles C4'-P-C4' energy: -110.598
flat angles P-C4'-P energy: -74.197
tors. eta vs tors. theta energy: -148.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -1581.226590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.226590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.226590 (E_RNA)
where:
Base-Base interactions energy: -1111.836
where: short stacking energy: -432.115
Base-Backbone interact. energy: -1.861
local terms energy: -467.529602
where:
bonds (distance) C4'-P energy: -84.296
bonds (distance) P-C4' energy: -100.117
flat angles C4'-P-C4' energy: -108.640
flat angles P-C4'-P energy: -67.293
tors. eta vs tors. theta energy: -107.183
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: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -1475.365081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.365081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.365081 (E_RNA)
where:
Base-Base interactions energy: -1019.490
where: short stacking energy: -439.271
Base-Backbone interact. energy: 5.076
local terms energy: -460.951452
where:
bonds (distance) C4'-P energy: -95.076
bonds (distance) P-C4' energy: -81.479
flat angles C4'-P-C4' energy: -106.033
flat angles P-C4'-P energy: -74.854
tors. eta vs tors. theta energy: -103.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -1353.891216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.891216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.891216 (E_RNA)
where:
Base-Base interactions energy: -934.223
where: short stacking energy: -386.637
Base-Backbone interact. energy: 4.058
local terms energy: -423.726129
where:
bonds (distance) C4'-P energy: -87.084
bonds (distance) P-C4' energy: -94.412
flat angles C4'-P-C4' energy: -90.403
flat angles P-C4'-P energy: -68.114
tors. eta vs tors. theta energy: -83.713
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: 7
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -1274.381009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.381009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.381009 (E_RNA)
where:
Base-Base interactions energy: -880.717
where: short stacking energy: -376.778
Base-Backbone interact. energy: -1.569
local terms energy: -392.094580
where:
bonds (distance) C4'-P energy: -95.356
bonds (distance) P-C4' energy: -80.127
flat angles C4'-P-C4' energy: -81.967
flat angles P-C4'-P energy: -52.618
tors. eta vs tors. theta energy: -82.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -1131.222834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.222834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.222834 (E_RNA)
where:
Base-Base interactions energy: -756.125
where: short stacking energy: -302.812
Base-Backbone interact. energy: -2.224
local terms energy: -372.873514
where:
bonds (distance) C4'-P energy: -88.304
bonds (distance) P-C4' energy: -85.875
flat angles C4'-P-C4' energy: -80.597
flat angles P-C4'-P energy: -53.041
tors. eta vs tors. theta energy: -65.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -697.638010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -697.638010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -697.638010 (E_RNA)
where:
Base-Base interactions energy: -407.339
where: short stacking energy: -199.423
Base-Backbone interact. energy: -0.794
local terms energy: -289.504663
where:
bonds (distance) C4'-P energy: -78.465
bonds (distance) P-C4' energy: -95.657
flat angles C4'-P-C4' energy: -61.047
flat angles P-C4'-P energy: -53.731
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -1969.217537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.217537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.217537 (E_RNA)
where:
Base-Base interactions energy: -1402.019
where: short stacking energy: -567.057
Base-Backbone interact. energy: -1.915
local terms energy: -565.284479
where:
bonds (distance) C4'-P energy: -103.093
bonds (distance) P-C4' energy: -100.627
flat angles C4'-P-C4' energy: -113.927
flat angles P-C4'-P energy: -86.350
tors. eta vs tors. theta energy: -161.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -1896.162819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.162819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.162819 (E_RNA)
where:
Base-Base interactions energy: -1349.691
where: short stacking energy: -538.567
Base-Backbone interact. energy: -1.864
local terms energy: -544.608121
where:
bonds (distance) C4'-P energy: -85.279
bonds (distance) P-C4' energy: -107.868
flat angles C4'-P-C4' energy: -118.721
flat angles P-C4'-P energy: -86.369
tors. eta vs tors. theta energy: -146.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -1791.915626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.915626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.915626 (E_RNA)
where:
Base-Base interactions energy: -1253.850
where: short stacking energy: -531.183
Base-Backbone interact. energy: -0.788
local terms energy: -537.278341
where:
bonds (distance) C4'-P energy: -88.662
bonds (distance) P-C4' energy: -107.629
flat angles C4'-P-C4' energy: -113.314
flat angles P-C4'-P energy: -78.553
tors. eta vs tors. theta energy: -149.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -1771.001636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.001636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.001636 (E_RNA)
where:
Base-Base interactions energy: -1257.577
where: short stacking energy: -507.615
Base-Backbone interact. energy: -0.896
local terms energy: -512.528519
where:
bonds (distance) C4'-P energy: -87.164
bonds (distance) P-C4' energy: -105.250
flat angles C4'-P-C4' energy: -108.667
flat angles P-C4'-P energy: -72.036
tors. eta vs tors. theta energy: -139.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -1581.784961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.784961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.784961 (E_RNA)
where:
Base-Base interactions energy: -1117.608
where: short stacking energy: -447.406
Base-Backbone interact. energy: -2.800
local terms energy: -461.377537
where:
bonds (distance) C4'-P energy: -95.318
bonds (distance) P-C4' energy: -91.154
flat angles C4'-P-C4' energy: -97.025
flat angles P-C4'-P energy: -70.470
tors. eta vs tors. theta energy: -107.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -1546.264943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.264943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.264943 (E_RNA)
where:
Base-Base interactions energy: -1095.415
where: short stacking energy: -461.685
Base-Backbone interact. energy: 5.474
local terms energy: -456.323760
where:
bonds (distance) C4'-P energy: -76.893
bonds (distance) P-C4' energy: -97.006
flat angles C4'-P-C4' energy: -96.608
flat angles P-C4'-P energy: -68.856
tors. eta vs tors. theta energy: -116.962
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: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -1349.205807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.205807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.205807 (E_RNA)
where:
Base-Base interactions energy: -932.239
where: short stacking energy: -393.609
Base-Backbone interact. energy: -1.501
local terms energy: -415.465640
where:
bonds (distance) C4'-P energy: -74.320
bonds (distance) P-C4' energy: -93.897
flat angles C4'-P-C4' energy: -86.465
flat angles P-C4'-P energy: -58.332
tors. eta vs tors. theta energy: -102.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -1323.679821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.679821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.679821 (E_RNA)
where:
Base-Base interactions energy: -889.110
where: short stacking energy: -392.003
Base-Backbone interact. energy: -1.832
local terms energy: -432.737436
where:
bonds (distance) C4'-P energy: -82.708
bonds (distance) P-C4' energy: -87.095
flat angles C4'-P-C4' energy: -106.004
flat angles P-C4'-P energy: -58.305
tors. eta vs tors. theta energy: -98.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -1219.148096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.148096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.148096 (E_RNA)
where:
Base-Base interactions energy: -837.072
where: short stacking energy: -344.241
Base-Backbone interact. energy: -2.024
local terms energy: -380.051459
where:
bonds (distance) C4'-P energy: -68.465
bonds (distance) P-C4' energy: -75.581
flat angles C4'-P-C4' energy: -78.630
flat angles P-C4'-P energy: -68.540
tors. eta vs tors. theta energy: -88.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -744.690270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.690270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.690270 (E_RNA)
where:
Base-Base interactions energy: -426.455
where: short stacking energy: -197.840
Base-Backbone interact. energy: -0.625
local terms energy: -317.610267
where:
bonds (distance) C4'-P energy: -89.111
bonds (distance) P-C4' energy: -82.478
flat angles C4'-P-C4' energy: -81.744
flat angles P-C4'-P energy: -53.171
tors. eta vs tors. theta energy: -11.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -1968.511969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.511969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.511969 (E_RNA)
where:
Base-Base interactions energy: -1393.260
where: short stacking energy: -570.365
Base-Backbone interact. energy: -2.009
local terms energy: -573.243412
where:
bonds (distance) C4'-P energy: -108.823
bonds (distance) P-C4' energy: -101.677
flat angles C4'-P-C4' energy: -120.258
flat angles P-C4'-P energy: -88.609
tors. eta vs tors. theta energy: -153.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -1856.411490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.411490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.411490 (E_RNA)
where:
Base-Base interactions energy: -1339.955
where: short stacking energy: -502.114
Base-Backbone interact. energy: 2.958
local terms energy: -519.414064
where:
bonds (distance) C4'-P energy: -89.336
bonds (distance) P-C4' energy: -105.161
flat angles C4'-P-C4' energy: -113.410
flat angles P-C4'-P energy: -72.819
tors. eta vs tors. theta energy: -138.689
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: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -1817.848636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.848636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.848636 (E_RNA)
where:
Base-Base interactions energy: -1277.371
where: short stacking energy: -525.599
Base-Backbone interact. energy: -0.268
local terms energy: -540.209366
where:
bonds (distance) C4'-P energy: -103.082
bonds (distance) P-C4' energy: -100.447
flat angles C4'-P-C4' energy: -123.714
flat angles P-C4'-P energy: -73.978
tors. eta vs tors. theta energy: -138.987
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: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -1760.621239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.621239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.621239 (E_RNA)
where:
Base-Base interactions energy: -1241.546
where: short stacking energy: -533.795
Base-Backbone interact. energy: 3.263
local terms energy: -522.337814
where:
bonds (distance) C4'-P energy: -100.366
bonds (distance) P-C4' energy: -97.078
flat angles C4'-P-C4' energy: -106.060
flat angles P-C4'-P energy: -71.703
tors. eta vs tors. theta energy: -147.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -1602.667733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.667733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.667733 (E_RNA)
where:
Base-Base interactions energy: -1123.001
where: short stacking energy: -451.752
Base-Backbone interact. energy: -2.643
local terms energy: -477.024372
where:
bonds (distance) C4'-P energy: -86.351
bonds (distance) P-C4' energy: -92.102
flat angles C4'-P-C4' energy: -107.408
flat angles P-C4'-P energy: -80.277
tors. eta vs tors. theta energy: -110.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -1503.581396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.581396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.581396 (E_RNA)
where:
Base-Base interactions energy: -1049.783
where: short stacking energy: -458.748
Base-Backbone interact. energy: 0.095
local terms energy: -453.894113
where:
bonds (distance) C4'-P energy: -71.847
bonds (distance) P-C4' energy: -88.703
flat angles C4'-P-C4' energy: -93.848
flat angles P-C4'-P energy: -80.268
tors. eta vs tors. theta energy: -119.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -1343.312127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.312127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.312127 (E_RNA)
where:
Base-Base interactions energy: -924.230
where: short stacking energy: -377.956
Base-Backbone interact. energy: 2.058
local terms energy: -421.139278
where:
bonds (distance) C4'-P energy: -83.162
bonds (distance) P-C4' energy: -72.336
flat angles C4'-P-C4' energy: -107.767
flat angles P-C4'-P energy: -68.319
tors. eta vs tors. theta energy: -89.555
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: 8, replica: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -1295.324484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.324484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.324484 (E_RNA)
where:
Base-Base interactions energy: -929.343
where: short stacking energy: -381.205
Base-Backbone interact. energy: 0.511
local terms energy: -366.493081
where:
bonds (distance) C4'-P energy: -77.338
bonds (distance) P-C4' energy: -68.732
flat angles C4'-P-C4' energy: -96.090
flat angles P-C4'-P energy: -47.326
tors. eta vs tors. theta energy: -77.008
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: 9, replica: 6
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -1154.765634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.765634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.765634 (E_RNA)
where:
Base-Base interactions energy: -765.712
where: short stacking energy: -320.741
Base-Backbone interact. energy: 0.169
local terms energy: -389.222625
where:
bonds (distance) C4'-P energy: -78.819
bonds (distance) P-C4' energy: -95.542
flat angles C4'-P-C4' energy: -90.966
flat angles P-C4'-P energy: -49.854
tors. eta vs tors. theta energy: -74.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -637.019944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -637.019944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -637.019944 (E_RNA)
where:
Base-Base interactions energy: -358.812
where: short stacking energy: -172.351
Base-Backbone interact. energy: -2.964
local terms energy: -275.244279
where:
bonds (distance) C4'-P energy: -66.258
bonds (distance) P-C4' energy: -86.489
flat angles C4'-P-C4' energy: -68.549
flat angles P-C4'-P energy: -43.460
tors. eta vs tors. theta energy: -10.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -1920.012277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.012277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.012277 (E_RNA)
where:
Base-Base interactions energy: -1349.342
where: short stacking energy: -528.301
Base-Backbone interact. energy: -0.667
local terms energy: -570.003449
where:
bonds (distance) C4'-P energy: -101.827
bonds (distance) P-C4' energy: -107.619
flat angles C4'-P-C4' energy: -123.473
flat angles P-C4'-P energy: -85.329
tors. eta vs tors. theta energy: -151.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -1924.077824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.077824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.077824 (E_RNA)
where:
Base-Base interactions energy: -1369.624
where: short stacking energy: -557.948
Base-Backbone interact. energy: -1.387
local terms energy: -553.066825
where:
bonds (distance) C4'-P energy: -81.319
bonds (distance) P-C4' energy: -103.547
flat angles C4'-P-C4' energy: -121.272
flat angles P-C4'-P energy: -89.387
tors. eta vs tors. theta energy: -157.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -1806.468207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.468207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.468207 (E_RNA)
where:
Base-Base interactions energy: -1285.958
where: short stacking energy: -499.101
Base-Backbone interact. energy: -2.923
local terms energy: -517.587504
where:
bonds (distance) C4'-P energy: -94.966
bonds (distance) P-C4' energy: -106.121
flat angles C4'-P-C4' energy: -104.428
flat angles P-C4'-P energy: -74.945
tors. eta vs tors. theta energy: -137.127
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: 3
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -1740.236783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.236783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.236783 (E_RNA)
where:
Base-Base interactions energy: -1240.434
where: short stacking energy: -515.677
Base-Backbone interact. energy: 0.605
local terms energy: -500.407305
where:
bonds (distance) C4'-P energy: -85.125
bonds (distance) P-C4' energy: -94.084
flat angles C4'-P-C4' energy: -104.881
flat angles P-C4'-P energy: -80.026
tors. eta vs tors. theta energy: -136.291
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: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -1628.580473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.580473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.580473 (E_RNA)
where:
Base-Base interactions energy: -1146.606
where: short stacking energy: -460.308
Base-Backbone interact. energy: -2.397
local terms energy: -479.577647
where:
bonds (distance) C4'-P energy: -88.282
bonds (distance) P-C4' energy: -95.100
flat angles C4'-P-C4' energy: -92.532
flat angles P-C4'-P energy: -73.619
tors. eta vs tors. theta energy: -130.045
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: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -1509.710721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.710721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.710721 (E_RNA)
where:
Base-Base interactions energy: -1037.578
where: short stacking energy: -446.763
Base-Backbone interact. energy: -1.961
local terms energy: -470.172095
where:
bonds (distance) C4'-P energy: -87.017
bonds (distance) P-C4' energy: -91.839
flat angles C4'-P-C4' energy: -106.978
flat angles P-C4'-P energy: -75.592
tors. eta vs tors. theta energy: -108.746
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: 7
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -1365.255071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.255071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.255071 (E_RNA)
where:
Base-Base interactions energy: -944.056
where: short stacking energy: -379.746
Base-Backbone interact. energy: -0.133
local terms energy: -421.065747
where:
bonds (distance) C4'-P energy: -91.425
bonds (distance) P-C4' energy: -91.357
flat angles C4'-P-C4' energy: -90.698
flat angles P-C4'-P energy: -55.970
tors. eta vs tors. theta energy: -91.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -1289.957230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.957230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.957230 (E_RNA)
where:
Base-Base interactions energy: -873.131
where: short stacking energy: -355.458
Base-Backbone interact. energy: -1.816
local terms energy: -415.010531
where:
bonds (distance) C4'-P energy: -76.994
bonds (distance) P-C4' energy: -93.075
flat angles C4'-P-C4' energy: -89.732
flat angles P-C4'-P energy: -67.678
tors. eta vs tors. theta energy: -87.532
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: 9, replica: 6
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -1186.446770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.446770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.446770 (E_RNA)
where:
Base-Base interactions energy: -776.526
where: short stacking energy: -319.819
Base-Backbone interact. energy: 0.693
local terms energy: -410.614383
where:
bonds (distance) C4'-P energy: -90.168
bonds (distance) P-C4' energy: -77.923
flat angles C4'-P-C4' energy: -91.978
flat angles P-C4'-P energy: -76.409
tors. eta vs tors. theta energy: -74.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -692.496399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -692.496399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -692.496399 (E_RNA)
where:
Base-Base interactions energy: -382.926
where: short stacking energy: -175.755
Base-Backbone interact. energy: 0.211
local terms energy: -309.782242
where:
bonds (distance) C4'-P energy: -72.335
bonds (distance) P-C4' energy: -91.073
flat angles C4'-P-C4' energy: -80.419
flat angles P-C4'-P energy: -58.098
tors. eta vs tors. theta energy: -7.858
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: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -1908.017686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.017686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.017686 (E_RNA)
where:
Base-Base interactions energy: -1330.754
where: short stacking energy: -536.807
Base-Backbone interact. energy: -0.489
local terms energy: -576.774791
where:
bonds (distance) C4'-P energy: -101.646
bonds (distance) P-C4' energy: -118.755
flat angles C4'-P-C4' energy: -122.700
flat angles P-C4'-P energy: -89.930
tors. eta vs tors. theta energy: -143.743
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: 2, replica: 4
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -1912.125815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.125815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.125815 (E_RNA)
where:
Base-Base interactions energy: -1355.763
where: short stacking energy: -535.789
Base-Backbone interact. energy: -2.892
local terms energy: -553.470435
where:
bonds (distance) C4'-P energy: -93.717
bonds (distance) P-C4' energy: -105.748
flat angles C4'-P-C4' energy: -118.494
flat angles P-C4'-P energy: -74.838
tors. eta vs tors. theta energy: -160.673
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: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -1808.226455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.226455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.226455 (E_RNA)
where:
Base-Base interactions energy: -1269.258
where: short stacking energy: -514.147
Base-Backbone interact. energy: -1.380
local terms energy: -537.588070
where:
bonds (distance) C4'-P energy: -105.187
bonds (distance) P-C4' energy: -104.541
flat angles C4'-P-C4' energy: -111.081
flat angles P-C4'-P energy: -83.607
tors. eta vs tors. theta energy: -133.173
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: 8
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -1701.777402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.777402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.777402 (E_RNA)
where:
Base-Base interactions energy: -1212.832
where: short stacking energy: -484.569
Base-Backbone interact. energy: -1.694
local terms energy: -487.251572
where:
bonds (distance) C4'-P energy: -89.327
bonds (distance) P-C4' energy: -102.069
flat angles C4'-P-C4' energy: -111.094
flat angles P-C4'-P energy: -58.626
tors. eta vs tors. theta energy: -126.136
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: 3
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -1698.004715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.004715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.004715 (E_RNA)
where:
Base-Base interactions energy: -1182.594
where: short stacking energy: -482.690
Base-Backbone interact. energy: -1.056
local terms energy: -514.354193
where:
bonds (distance) C4'-P energy: -105.685
bonds (distance) P-C4' energy: -96.149
flat angles C4'-P-C4' energy: -109.034
flat angles P-C4'-P energy: -60.220
tors. eta vs tors. theta energy: -143.267
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: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -1537.091696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.091696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.091696 (E_RNA)
where:
Base-Base interactions energy: -1076.076
where: short stacking energy: -436.647
Base-Backbone interact. energy: -2.207
local terms energy: -458.809036
where:
bonds (distance) C4'-P energy: -87.404
bonds (distance) P-C4' energy: -88.015
flat angles C4'-P-C4' energy: -104.580
flat angles P-C4'-P energy: -74.072
tors. eta vs tors. theta energy: -104.738
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: 191
Temperature: 1.200000
Total energy: -1334.021572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.021572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.021572 (E_RNA)
where:
Base-Base interactions energy: -914.955
where: short stacking energy: -398.321
Base-Backbone interact. energy: 3.624
local terms energy: -422.689980
where:
bonds (distance) C4'-P energy: -86.225
bonds (distance) P-C4' energy: -90.201
flat angles C4'-P-C4' energy: -101.111
flat angles P-C4'-P energy: -60.053
tors. eta vs tors. theta energy: -85.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -1295.116562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1295.116562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1295.116562 (E_RNA)
where:
Base-Base interactions energy: -867.261
where: short stacking energy: -362.935
Base-Backbone interact. energy: -2.861
local terms energy: -424.994267
where:
bonds (distance) C4'-P energy: -85.263
bonds (distance) P-C4' energy: -91.261
flat angles C4'-P-C4' energy: -95.892
flat angles P-C4'-P energy: -60.377
tors. eta vs tors. theta energy: -92.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -1196.472699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.472699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.472699 (E_RNA)
where:
Base-Base interactions energy: -779.548
where: short stacking energy: -335.897
Base-Backbone interact. energy: 0.569
local terms energy: -417.493590
where:
bonds (distance) C4'-P energy: -85.318
bonds (distance) P-C4' energy: -93.579
flat angles C4'-P-C4' energy: -87.357
flat angles P-C4'-P energy: -65.930
tors. eta vs tors. theta energy: -85.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -690.618560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.618560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.618560 (E_RNA)
where:
Base-Base interactions energy: -395.834
where: short stacking energy: -209.816
Base-Backbone interact. energy: -0.670
local terms energy: -294.115295
where:
bonds (distance) C4'-P energy: -90.605
bonds (distance) P-C4' energy: -79.012
flat angles C4'-P-C4' energy: -71.732
flat angles P-C4'-P energy: -39.239
tors. eta vs tors. theta energy: -13.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -1955.882505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.882505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.882505 (E_RNA)
where:
Base-Base interactions energy: -1377.279
where: short stacking energy: -573.593
Base-Backbone interact. energy: 2.154
local terms energy: -580.757578
where:
bonds (distance) C4'-P energy: -106.098
bonds (distance) P-C4' energy: -115.491
flat angles C4'-P-C4' energy: -120.119
flat angles P-C4'-P energy: -74.168
tors. eta vs tors. theta energy: -164.881
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: 192
Temperature: 0.950000
Total energy: -1887.620329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.620329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.620329 (E_RNA)
where:
Base-Base interactions energy: -1334.704
where: short stacking energy: -532.229
Base-Backbone interact. energy: 3.914
local terms energy: -556.830454
where:
bonds (distance) C4'-P energy: -95.706
bonds (distance) P-C4' energy: -101.018
flat angles C4'-P-C4' energy: -116.986
flat angles P-C4'-P energy: -89.633
tors. eta vs tors. theta energy: -153.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -1818.711348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.711348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.711348 (E_RNA)
where:
Base-Base interactions energy: -1303.405
where: short stacking energy: -534.716
Base-Backbone interact. energy: -4.087
local terms energy: -511.219507
where:
bonds (distance) C4'-P energy: -90.917
bonds (distance) P-C4' energy: -99.615
flat angles C4'-P-C4' energy: -111.002
flat angles P-C4'-P energy: -64.083
tors. eta vs tors. theta energy: -145.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -1710.362212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.362212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.362212 (E_RNA)
where:
Base-Base interactions energy: -1209.999
where: short stacking energy: -495.600
Base-Backbone interact. energy: 0.512
local terms energy: -500.875004
where:
bonds (distance) C4'-P energy: -94.740
bonds (distance) P-C4' energy: -95.010
flat angles C4'-P-C4' energy: -111.059
flat angles P-C4'-P energy: -67.790
tors. eta vs tors. theta energy: -132.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -1675.537997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.537997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.537997 (E_RNA)
where:
Base-Base interactions energy: -1177.405
where: short stacking energy: -472.993
Base-Backbone interact. energy: 2.537
local terms energy: -500.670558
where:
bonds (distance) C4'-P energy: -88.143
bonds (distance) P-C4' energy: -89.019
flat angles C4'-P-C4' energy: -116.654
flat angles P-C4'-P energy: -73.240
tors. eta vs tors. theta energy: -133.615
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: 9
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -1496.319814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.319814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.319814 (E_RNA)
where:
Base-Base interactions energy: -1034.801
where: short stacking energy: -430.615
Base-Backbone interact. energy: 3.315
local terms energy: -464.833917
where:
bonds (distance) C4'-P energy: -102.661
bonds (distance) P-C4' energy: -95.901
flat angles C4'-P-C4' energy: -99.032
flat angles P-C4'-P energy: -67.810
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: 7, replica: 7
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -1360.271802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.271802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.271802 (E_RNA)
where:
Base-Base interactions energy: -915.031
where: short stacking energy: -394.307
Base-Backbone interact. energy: -1.727
local terms energy: -443.514544
where:
bonds (distance) C4'-P energy: -96.522
bonds (distance) P-C4' energy: -91.712
flat angles C4'-P-C4' energy: -96.811
flat angles P-C4'-P energy: -65.521
tors. eta vs tors. theta energy: -92.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -1279.931608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.931608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.931608 (E_RNA)
where:
Base-Base interactions energy: -873.303
where: short stacking energy: -372.130
Base-Backbone interact. energy: -1.445
local terms energy: -405.183387
where:
bonds (distance) C4'-P energy: -90.436
bonds (distance) P-C4' energy: -88.913
flat angles C4'-P-C4' energy: -83.431
flat angles P-C4'-P energy: -59.118
tors. eta vs tors. theta energy: -83.284
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: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -1183.070222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.070222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.070222 (E_RNA)
where:
Base-Base interactions energy: -813.760
where: short stacking energy: -331.193
Base-Backbone interact. energy: -3.117
local terms energy: -366.193335
where:
bonds (distance) C4'-P energy: -77.792
bonds (distance) P-C4' energy: -77.209
flat angles C4'-P-C4' energy: -87.167
flat angles P-C4'-P energy: -52.176
tors. eta vs tors. theta energy: -71.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -669.571485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -669.571485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -669.571485 (E_RNA)
where:
Base-Base interactions energy: -367.368
where: short stacking energy: -212.472
Base-Backbone interact. energy: 4.533
local terms energy: -306.735703
where:
bonds (distance) C4'-P energy: -66.012
bonds (distance) P-C4' energy: -84.350
flat angles C4'-P-C4' energy: -86.261
flat angles P-C4'-P energy: -49.452
tors. eta vs tors. theta energy: -20.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -1945.663204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.663204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.663204 (E_RNA)
where:
Base-Base interactions energy: -1385.165
where: short stacking energy: -549.105
Base-Backbone interact. energy: 0.970
local terms energy: -561.468475
where:
bonds (distance) C4'-P energy: -102.318
bonds (distance) P-C4' energy: -96.726
flat angles C4'-P-C4' energy: -118.679
flat angles P-C4'-P energy: -81.206
tors. eta vs tors. theta energy: -162.539
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: 2
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -1883.276476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.276476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.276476 (E_RNA)
where:
Base-Base interactions energy: -1367.813
where: short stacking energy: -520.955
Base-Backbone interact. energy: -0.560
local terms energy: -514.903703
where:
bonds (distance) C4'-P energy: -88.378
bonds (distance) P-C4' energy: -97.639
flat angles C4'-P-C4' energy: -112.169
flat angles P-C4'-P energy: -81.811
tors. eta vs tors. theta energy: -134.906
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: 3, replica: 1
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -1825.746144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.746144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.746144 (E_RNA)
where:
Base-Base interactions energy: -1308.868
where: short stacking energy: -549.178
Base-Backbone interact. energy: -2.885
local terms energy: -513.992942
where:
bonds (distance) C4'-P energy: -87.506
bonds (distance) P-C4' energy: -107.761
flat angles C4'-P-C4' energy: -109.756
flat angles P-C4'-P energy: -66.867
tors. eta vs tors. theta energy: -142.103
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: 8
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -1735.377672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.377672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.377672 (E_RNA)
where:
Base-Base interactions energy: -1231.190
where: short stacking energy: -516.691
Base-Backbone interact. energy: -0.328
local terms energy: -503.860371
where:
bonds (distance) C4'-P energy: -93.684
bonds (distance) P-C4' energy: -79.052
flat angles C4'-P-C4' energy: -110.396
flat angles P-C4'-P energy: -73.752
tors. eta vs tors. theta energy: -146.977
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: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -1675.731046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.731046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.731046 (E_RNA)
where:
Base-Base interactions energy: -1195.820
where: short stacking energy: -474.238
Base-Backbone interact. energy: -1.867
local terms energy: -478.043943
where:
bonds (distance) C4'-P energy: -91.512
bonds (distance) P-C4' energy: -84.801
flat angles C4'-P-C4' energy: -101.546
flat angles P-C4'-P energy: -66.544
tors. eta vs tors. theta energy: -133.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -1508.237559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.237559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.237559 (E_RNA)
where:
Base-Base interactions energy: -1036.031
where: short stacking energy: -440.933
Base-Backbone interact. energy: -1.439
local terms energy: -470.766914
where:
bonds (distance) C4'-P energy: -97.386
bonds (distance) P-C4' energy: -100.692
flat angles C4'-P-C4' energy: -109.690
flat angles P-C4'-P energy: -64.162
tors. eta vs tors. theta energy: -98.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -1385.220101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.220101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.220101 (E_RNA)
where:
Base-Base interactions energy: -968.947
where: short stacking energy: -391.546
Base-Backbone interact. energy: -0.659
local terms energy: -415.614153
where:
bonds (distance) C4'-P energy: -73.148
bonds (distance) P-C4' energy: -95.330
flat angles C4'-P-C4' energy: -99.868
flat angles P-C4'-P energy: -58.120
tors. eta vs tors. theta energy: -89.147
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: 8, replica: 5
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -1276.053966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1276.053966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1276.053966 (E_RNA)
where:
Base-Base interactions energy: -879.397
where: short stacking energy: -353.006
Base-Backbone interact. energy: 2.705
local terms energy: -399.361708
where:
bonds (distance) C4'-P energy: -73.638
bonds (distance) P-C4' energy: -92.082
flat angles C4'-P-C4' energy: -88.494
flat angles P-C4'-P energy: -68.559
tors. eta vs tors. theta energy: -76.589
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: 6
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -1163.372097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1163.372097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1163.372097 (E_RNA)
where:
Base-Base interactions energy: -799.438
where: short stacking energy: -323.731
Base-Backbone interact. energy: -1.172
local terms energy: -362.762571
where:
bonds (distance) C4'-P energy: -77.840
bonds (distance) P-C4' energy: -92.047
flat angles C4'-P-C4' energy: -91.536
flat angles P-C4'-P energy: -47.575
tors. eta vs tors. theta energy: -53.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -664.796186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -664.796186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -664.796186 (E_RNA)
where:
Base-Base interactions energy: -370.784
where: short stacking energy: -198.721
Base-Backbone interact. energy: -2.362
local terms energy: -291.650274
where:
bonds (distance) C4'-P energy: -68.218
bonds (distance) P-C4' energy: -102.424
flat angles C4'-P-C4' energy: -67.707
flat angles P-C4'-P energy: -40.095
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: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -1912.105113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.105113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.105113 (E_RNA)
where:
Base-Base interactions energy: -1349.439
where: short stacking energy: -538.365
Base-Backbone interact. energy: 0.150
local terms energy: -562.815592
where:
bonds (distance) C4'-P energy: -91.629
bonds (distance) P-C4' energy: -107.916
flat angles C4'-P-C4' energy: -125.118
flat angles P-C4'-P energy: -85.449
tors. eta vs tors. theta energy: -152.703
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: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -1905.599538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.599538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.599538 (E_RNA)
where:
Base-Base interactions energy: -1344.359
where: short stacking energy: -558.538
Base-Backbone interact. energy: -1.701
local terms energy: -559.540386
where:
bonds (distance) C4'-P energy: -97.802
bonds (distance) P-C4' energy: -102.024
flat angles C4'-P-C4' energy: -121.414
flat angles P-C4'-P energy: -71.734
tors. eta vs tors. theta energy: -166.567
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: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -1806.471062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.471062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.471062 (E_RNA)
where:
Base-Base interactions energy: -1293.530
where: short stacking energy: -492.733
Base-Backbone interact. energy: -3.289
local terms energy: -509.651927
where:
bonds (distance) C4'-P energy: -94.420
bonds (distance) P-C4' energy: -96.508
flat angles C4'-P-C4' energy: -111.213
flat angles P-C4'-P energy: -76.614
tors. eta vs tors. theta energy: -130.898
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: 8
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -1709.014198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.014198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.014198 (E_RNA)
where:
Base-Base interactions energy: -1201.278
where: short stacking energy: -497.540
Base-Backbone interact. energy: -2.638
local terms energy: -505.098509
where:
bonds (distance) C4'-P energy: -95.363
bonds (distance) P-C4' energy: -92.332
flat angles C4'-P-C4' energy: -102.537
flat angles P-C4'-P energy: -76.866
tors. eta vs tors. theta energy: -138.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -1631.424479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.424479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.424479 (E_RNA)
where:
Base-Base interactions energy: -1162.224
where: short stacking energy: -499.563
Base-Backbone interact. energy: -2.701
local terms energy: -466.499560
where:
bonds (distance) C4'-P energy: -62.203
bonds (distance) P-C4' energy: -92.374
flat angles C4'-P-C4' energy: -116.387
flat angles P-C4'-P energy: -70.458
tors. eta vs tors. theta energy: -125.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -1475.816346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.816346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.816346 (E_RNA)
where:
Base-Base interactions energy: -1027.937
where: short stacking energy: -449.592
Base-Backbone interact. energy: -1.427
local terms energy: -446.452199
where:
bonds (distance) C4'-P energy: -84.288
bonds (distance) P-C4' energy: -94.845
flat angles C4'-P-C4' energy: -93.868
flat angles P-C4'-P energy: -59.346
tors. eta vs tors. theta energy: -114.106
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: 7
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -1397.832108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.832108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.832108 (E_RNA)
where:
Base-Base interactions energy: -964.140
where: short stacking energy: -406.047
Base-Backbone interact. energy: 0.327
local terms energy: -434.018374
where:
bonds (distance) C4'-P energy: -102.580
bonds (distance) P-C4' energy: -72.674
flat angles C4'-P-C4' energy: -104.971
flat angles P-C4'-P energy: -61.592
tors. eta vs tors. theta energy: -92.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -1332.502059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.502059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.502059 (E_RNA)
where:
Base-Base interactions energy: -937.955
where: short stacking energy: -356.926
Base-Backbone interact. energy: 3.224
local terms energy: -397.770813
where:
bonds (distance) C4'-P energy: -77.050
bonds (distance) P-C4' energy: -95.570
flat angles C4'-P-C4' energy: -87.444
flat angles P-C4'-P energy: -56.000
tors. eta vs tors. theta energy: -81.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -1127.522739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.522739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.522739 (E_RNA)
where:
Base-Base interactions energy: -745.030
where: short stacking energy: -314.615
Base-Backbone interact. energy: 1.022
local terms energy: -383.514871
where:
bonds (distance) C4'-P energy: -96.166
bonds (distance) P-C4' energy: -79.481
flat angles C4'-P-C4' energy: -86.234
flat angles P-C4'-P energy: -60.486
tors. eta vs tors. theta energy: -61.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -734.966797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.966797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.966797 (E_RNA)
where:
Base-Base interactions energy: -419.678
where: short stacking energy: -222.281
Base-Backbone interact. energy: 6.958
local terms energy: -322.246107
where:
bonds (distance) C4'-P energy: -81.806
bonds (distance) P-C4' energy: -83.916
flat angles C4'-P-C4' energy: -83.665
flat angles P-C4'-P energy: -44.889
tors. eta vs tors. theta energy: -27.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -1924.041450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.041450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.041450 (E_RNA)
where:
Base-Base interactions energy: -1375.092
where: short stacking energy: -548.624
Base-Backbone interact. energy: 2.156
local terms energy: -551.104870
where:
bonds (distance) C4'-P energy: -93.594
bonds (distance) P-C4' energy: -110.305
flat angles C4'-P-C4' energy: -112.251
flat angles P-C4'-P energy: -81.737
tors. eta vs tors. theta energy: -153.218
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: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -1869.983554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.983554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.983554 (E_RNA)
where:
Base-Base interactions energy: -1321.029
where: short stacking energy: -543.459
Base-Backbone interact. energy: -1.934
local terms energy: -547.020474
where:
bonds (distance) C4'-P energy: -97.685
bonds (distance) P-C4' energy: -99.963
flat angles C4'-P-C4' energy: -126.875
flat angles P-C4'-P energy: -73.320
tors. eta vs tors. theta energy: -149.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -1803.338257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.338257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.338257 (E_RNA)
where:
Base-Base interactions energy: -1269.132
where: short stacking energy: -512.019
Base-Backbone interact. energy: -1.524
local terms energy: -532.682284
where:
bonds (distance) C4'-P energy: -105.030
bonds (distance) P-C4' energy: -93.111
flat angles C4'-P-C4' energy: -121.615
flat angles P-C4'-P energy: -72.578
tors. eta vs tors. theta energy: -140.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -1718.073711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.073711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.073711 (E_RNA)
where:
Base-Base interactions energy: -1234.054
where: short stacking energy: -481.916
Base-Backbone interact. energy: 2.722
local terms energy: -486.741579
where:
bonds (distance) C4'-P energy: -101.379
bonds (distance) P-C4' energy: -97.901
flat angles C4'-P-C4' energy: -100.814
flat angles P-C4'-P energy: -66.506
tors. eta vs tors. theta energy: -120.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -1662.324293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.324293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.324293 (E_RNA)
where:
Base-Base interactions energy: -1175.164
where: short stacking energy: -479.929
Base-Backbone interact. energy: -0.936
local terms energy: -486.224720
where:
bonds (distance) C4'-P energy: -86.470
bonds (distance) P-C4' energy: -97.839
flat angles C4'-P-C4' energy: -106.370
flat angles P-C4'-P energy: -74.808
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: 6, replica: 7
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -1447.263062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.263062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.263062 (E_RNA)
where:
Base-Base interactions energy: -982.427
where: short stacking energy: -418.262
Base-Backbone interact. energy: -1.987
local terms energy: -462.849180
where:
bonds (distance) C4'-P energy: -87.787
bonds (distance) P-C4' energy: -89.090
flat angles C4'-P-C4' energy: -107.378
flat angles P-C4'-P energy: -69.785
tors. eta vs tors. theta energy: -108.809
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: 9
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -1390.443249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.443249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.443249 (E_RNA)
where:
Base-Base interactions energy: -959.499
where: short stacking energy: -397.194
Base-Backbone interact. energy: -1.067
local terms energy: -429.878124
where:
bonds (distance) C4'-P energy: -74.255
bonds (distance) P-C4' energy: -94.292
flat angles C4'-P-C4' energy: -91.530
flat angles P-C4'-P energy: -72.964
tors. eta vs tors. theta energy: -96.836
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: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -1309.939500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.939500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.939500 (E_RNA)
where:
Base-Base interactions energy: -894.084
where: short stacking energy: -369.167
Base-Backbone interact. energy: -0.813
local terms energy: -415.042941
where:
bonds (distance) C4'-P energy: -92.056
bonds (distance) P-C4' energy: -95.103
flat angles C4'-P-C4' energy: -96.535
flat angles P-C4'-P energy: -50.692
tors. eta vs tors. theta energy: -80.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -1154.219302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.219302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.219302 (E_RNA)
where:
Base-Base interactions energy: -781.339
where: short stacking energy: -336.660
Base-Backbone interact. energy: -0.167
local terms energy: -372.712717
where:
bonds (distance) C4'-P energy: -86.325
bonds (distance) P-C4' energy: -83.910
flat angles C4'-P-C4' energy: -86.124
flat angles P-C4'-P energy: -52.674
tors. eta vs tors. theta energy: -63.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -718.255484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.255484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.255484 (E_RNA)
where:
Base-Base interactions energy: -411.130
where: short stacking energy: -217.913
Base-Backbone interact. energy: -1.739
local terms energy: -305.386891
where:
bonds (distance) C4'-P energy: -68.966
bonds (distance) P-C4' energy: -90.077
flat angles C4'-P-C4' energy: -77.239
flat angles P-C4'-P energy: -45.876
tors. eta vs tors. theta energy: -23.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -1925.111161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.111161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.111161 (E_RNA)
where:
Base-Base interactions energy: -1372.276
where: short stacking energy: -556.959
Base-Backbone interact. energy: 0.847
local terms energy: -553.681759
where:
bonds (distance) C4'-P energy: -99.062
bonds (distance) P-C4' energy: -106.699
flat angles C4'-P-C4' energy: -119.902
flat angles P-C4'-P energy: -79.056
tors. eta vs tors. theta energy: -148.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -1888.105085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.105085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.105085 (E_RNA)
where:
Base-Base interactions energy: -1341.164
where: short stacking energy: -559.369
Base-Backbone interact. energy: -2.937
local terms energy: -544.004486
where:
bonds (distance) C4'-P energy: -98.029
bonds (distance) P-C4' energy: -88.058
flat angles C4'-P-C4' energy: -113.110
flat angles P-C4'-P energy: -85.600
tors. eta vs tors. theta energy: -159.208
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: 196
Temperature: 1.000000
Total energy: -1837.137296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.137296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.137296 (E_RNA)
where:
Base-Base interactions energy: -1317.645
where: short stacking energy: -526.240
Base-Backbone interact. energy: -0.624
local terms energy: -518.869029
where:
bonds (distance) C4'-P energy: -93.986
bonds (distance) P-C4' energy: -96.337
flat angles C4'-P-C4' energy: -113.777
flat angles P-C4'-P energy: -69.985
tors. eta vs tors. theta energy: -144.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -1709.609887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1709.609887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1709.609887 (E_RNA)
where:
Base-Base interactions energy: -1202.310
where: short stacking energy: -508.863
Base-Backbone interact. energy: 1.642
local terms energy: -508.942634
where:
bonds (distance) C4'-P energy: -86.974
bonds (distance) P-C4' energy: -101.050
flat angles C4'-P-C4' energy: -108.183
flat angles P-C4'-P energy: -74.196
tors. eta vs tors. theta energy: -138.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -1606.874824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.874824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.874824 (E_RNA)
where:
Base-Base interactions energy: -1141.893
where: short stacking energy: -447.478
Base-Backbone interact. energy: -2.177
local terms energy: -462.804485
where:
bonds (distance) C4'-P energy: -75.296
bonds (distance) P-C4' energy: -113.815
flat angles C4'-P-C4' energy: -96.510
flat angles P-C4'-P energy: -62.096
tors. eta vs tors. theta energy: -115.088
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: 7
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -1428.913319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.913319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.913319 (E_RNA)
where:
Base-Base interactions energy: -974.636
where: short stacking energy: -414.845
Base-Backbone interact. energy: -3.799
local terms energy: -450.478340
where:
bonds (distance) C4'-P energy: -92.415
bonds (distance) P-C4' energy: -94.730
flat angles C4'-P-C4' energy: -90.631
flat angles P-C4'-P energy: -74.377
tors. eta vs tors. theta energy: -98.326
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: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -1377.277236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.277236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.277236 (E_RNA)
where:
Base-Base interactions energy: -967.351
where: short stacking energy: -378.692
Base-Backbone interact. energy: -0.407
local terms energy: -409.519765
where:
bonds (distance) C4'-P energy: -78.316
bonds (distance) P-C4' energy: -84.778
flat angles C4'-P-C4' energy: -96.263
flat angles P-C4'-P energy: -64.959
tors. eta vs tors. theta energy: -85.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -1360.469623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.469623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.469623 (E_RNA)
where:
Base-Base interactions energy: -945.577
where: short stacking energy: -386.053
Base-Backbone interact. energy: 1.278
local terms energy: -416.170673
where:
bonds (distance) C4'-P energy: -80.573
bonds (distance) P-C4' energy: -96.467
flat angles C4'-P-C4' energy: -82.409
flat angles P-C4'-P energy: -61.395
tors. eta vs tors. theta energy: -95.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -1119.037713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.037713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.037713 (E_RNA)
where:
Base-Base interactions energy: -742.475
where: short stacking energy: -317.470
Base-Backbone interact. energy: -0.258
local terms energy: -376.305410
where:
bonds (distance) C4'-P energy: -70.267
bonds (distance) P-C4' energy: -99.203
flat angles C4'-P-C4' energy: -81.616
flat angles P-C4'-P energy: -50.697
tors. eta vs tors. theta energy: -74.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -717.384381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.384381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.384381 (E_RNA)
where:
Base-Base interactions energy: -413.978
where: short stacking energy: -209.952
Base-Backbone interact. energy: 1.400
local terms energy: -304.806967
where:
bonds (distance) C4'-P energy: -59.844
bonds (distance) P-C4' energy: -83.115
flat angles C4'-P-C4' energy: -88.823
flat angles P-C4'-P energy: -55.275
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -1894.187892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.187892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.187892 (E_RNA)
where:
Base-Base interactions energy: -1352.095
where: short stacking energy: -535.480
Base-Backbone interact. energy: 0.558
local terms energy: -542.650537
where:
bonds (distance) C4'-P energy: -95.248
bonds (distance) P-C4' energy: -98.384
flat angles C4'-P-C4' energy: -113.360
flat angles P-C4'-P energy: -87.345
tors. eta vs tors. theta energy: -148.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -1882.417664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.417664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.417664 (E_RNA)
where:
Base-Base interactions energy: -1329.735
where: short stacking energy: -536.394
Base-Backbone interact. energy: -2.547
local terms energy: -550.135963
where:
bonds (distance) C4'-P energy: -88.980
bonds (distance) P-C4' energy: -100.746
flat angles C4'-P-C4' energy: -119.123
flat angles P-C4'-P energy: -84.416
tors. eta vs tors. theta energy: -156.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -1807.418128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.418128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.418128 (E_RNA)
where:
Base-Base interactions energy: -1289.568
where: short stacking energy: -502.474
Base-Backbone interact. energy: -1.653
local terms energy: -516.196973
where:
bonds (distance) C4'-P energy: -90.543
bonds (distance) P-C4' energy: -106.561
flat angles C4'-P-C4' energy: -104.868
flat angles P-C4'-P energy: -85.773
tors. eta vs tors. theta energy: -128.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -1701.326921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.326921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.326921 (E_RNA)
where:
Base-Base interactions energy: -1192.891
where: short stacking energy: -510.002
Base-Backbone interact. energy: -3.944
local terms energy: -504.492233
where:
bonds (distance) C4'-P energy: -98.668
bonds (distance) P-C4' energy: -90.737
flat angles C4'-P-C4' energy: -108.676
flat angles P-C4'-P energy: -70.133
tors. eta vs tors. theta energy: -136.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -1646.123663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.123663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.123663 (E_RNA)
where:
Base-Base interactions energy: -1165.032
where: short stacking energy: -463.905
Base-Backbone interact. energy: -0.031
local terms energy: -481.060636
where:
bonds (distance) C4'-P energy: -103.109
bonds (distance) P-C4' energy: -86.510
flat angles C4'-P-C4' energy: -101.202
flat angles P-C4'-P energy: -68.767
tors. eta vs tors. theta energy: -121.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -1444.433372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.433372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.433372 (E_RNA)
where:
Base-Base interactions energy: -1006.070
where: short stacking energy: -412.435
Base-Backbone interact. energy: -2.506
local terms energy: -435.857871
where:
bonds (distance) C4'-P energy: -96.423
bonds (distance) P-C4' energy: -79.190
flat angles C4'-P-C4' energy: -99.401
flat angles P-C4'-P energy: -63.792
tors. eta vs tors. theta energy: -97.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -1399.104955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.104955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.104955 (E_RNA)
where:
Base-Base interactions energy: -980.933
where: short stacking energy: -394.878
Base-Backbone interact. energy: -1.910
local terms energy: -416.262443
where:
bonds (distance) C4'-P energy: -88.796
bonds (distance) P-C4' energy: -81.607
flat angles C4'-P-C4' energy: -98.145
flat angles P-C4'-P energy: -57.605
tors. eta vs tors. theta energy: -90.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -1345.325767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.325767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.325767 (E_RNA)
where:
Base-Base interactions energy: -917.942
where: short stacking energy: -382.430
Base-Backbone interact. energy: 8.421
local terms energy: -435.804714
where:
bonds (distance) C4'-P energy: -87.733
bonds (distance) P-C4' energy: -85.997
flat angles C4'-P-C4' energy: -98.537
flat angles P-C4'-P energy: -64.057
tors. eta vs tors. theta energy: -99.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -1107.334328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.334328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.334328 (E_RNA)
where:
Base-Base interactions energy: -744.806
where: short stacking energy: -299.840
Base-Backbone interact. energy: 2.127
local terms energy: -364.655541
where:
bonds (distance) C4'-P energy: -76.008
bonds (distance) P-C4' energy: -65.151
flat angles C4'-P-C4' energy: -83.148
flat angles P-C4'-P energy: -68.732
tors. eta vs tors. theta energy: -71.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -746.313209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.313209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.313209 (E_RNA)
where:
Base-Base interactions energy: -423.787
where: short stacking energy: -191.807
Base-Backbone interact. energy: 0.322
local terms energy: -322.848760
where:
bonds (distance) C4'-P energy: -85.731
bonds (distance) P-C4' energy: -92.387
flat angles C4'-P-C4' energy: -70.212
flat angles P-C4'-P energy: -53.809
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -1924.522537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.522537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.522537 (E_RNA)
where:
Base-Base interactions energy: -1361.524
where: short stacking energy: -512.385
Base-Backbone interact. energy: 1.282
local terms energy: -564.280215
where:
bonds (distance) C4'-P energy: -104.578
bonds (distance) P-C4' energy: -106.020
flat angles C4'-P-C4' energy: -123.302
flat angles P-C4'-P energy: -87.626
tors. eta vs tors. theta energy: -142.754
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: 2, replica: 4
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -1878.961175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.961175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.961175 (E_RNA)
where:
Base-Base interactions energy: -1324.955
where: short stacking energy: -534.289
Base-Backbone interact. energy: -2.125
local terms energy: -551.881600
where:
bonds (distance) C4'-P energy: -101.949
bonds (distance) P-C4' energy: -103.843
flat angles C4'-P-C4' energy: -114.418
flat angles P-C4'-P energy: -80.348
tors. eta vs tors. theta energy: -151.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -1824.489475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.489475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.489475 (E_RNA)
where:
Base-Base interactions energy: -1310.083
where: short stacking energy: -514.934
Base-Backbone interact. energy: -2.844
local terms energy: -511.562271
where:
bonds (distance) C4'-P energy: -110.534
bonds (distance) P-C4' energy: -103.200
flat angles C4'-P-C4' energy: -104.517
flat angles P-C4'-P energy: -65.377
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: 4, replica: 8
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -1681.531041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.531041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.531041 (E_RNA)
where:
Base-Base interactions energy: -1192.042
where: short stacking energy: -489.459
Base-Backbone interact. energy: -1.937
local terms energy: -487.552197
where:
bonds (distance) C4'-P energy: -75.616
bonds (distance) P-C4' energy: -96.316
flat angles C4'-P-C4' energy: -107.622
flat angles P-C4'-P energy: -65.989
tors. eta vs tors. theta energy: -142.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -1639.121278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.121278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.121278 (E_RNA)
where:
Base-Base interactions energy: -1152.908
where: short stacking energy: -457.808
Base-Backbone interact. energy: 0.265
local terms energy: -486.478220
where:
bonds (distance) C4'-P energy: -80.044
bonds (distance) P-C4' energy: -102.739
flat angles C4'-P-C4' energy: -106.212
flat angles P-C4'-P energy: -72.704
tors. eta vs tors. theta energy: -124.780
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: 198
Temperature: 1.150000
Total energy: -1456.338946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.338946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.338946 (E_RNA)
where:
Base-Base interactions energy: -1007.987
where: short stacking energy: -433.526
Base-Backbone interact. energy: 2.145
local terms energy: -450.496977
where:
bonds (distance) C4'-P energy: -91.973
bonds (distance) P-C4' energy: -90.528
flat angles C4'-P-C4' energy: -98.869
flat angles P-C4'-P energy: -60.161
tors. eta vs tors. theta energy: -108.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -1447.165714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.165714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.165714 (E_RNA)
where:
Base-Base interactions energy: -1004.442
where: short stacking energy: -404.854
Base-Backbone interact. energy: -0.997
local terms energy: -441.727175
where:
bonds (distance) C4'-P energy: -76.709
bonds (distance) P-C4' energy: -94.736
flat angles C4'-P-C4' energy: -101.035
flat angles P-C4'-P energy: -65.797
tors. eta vs tors. theta energy: -103.449
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: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -1307.232554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.232554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.232554 (E_RNA)
where:
Base-Base interactions energy: -915.828
where: short stacking energy: -362.870
Base-Backbone interact. energy: 3.557
local terms energy: -394.960985
where:
bonds (distance) C4'-P energy: -79.967
bonds (distance) P-C4' energy: -91.536
flat angles C4'-P-C4' energy: -97.973
flat angles P-C4'-P energy: -42.319
tors. eta vs tors. theta energy: -83.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -1116.499937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.499937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.499937 (E_RNA)
where:
Base-Base interactions energy: -748.129
where: short stacking energy: -308.918
Base-Backbone interact. energy: -1.804
local terms energy: -366.566741
where:
bonds (distance) C4'-P energy: -88.622
bonds (distance) P-C4' energy: -90.370
flat angles C4'-P-C4' energy: -84.298
flat angles P-C4'-P energy: -41.914
tors. eta vs tors. theta energy: -61.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -710.511484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.511484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.511484 (E_RNA)
where:
Base-Base interactions energy: -399.644
where: short stacking energy: -194.857
Base-Backbone interact. energy: 0.959
local terms energy: -311.825949
where:
bonds (distance) C4'-P energy: -89.295
bonds (distance) P-C4' energy: -89.036
flat angles C4'-P-C4' energy: -74.055
flat angles P-C4'-P energy: -49.926
tors. eta vs tors. theta energy: -9.513
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: 199
Temperature: 0.900000
Total energy: -1906.500258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.500258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.500258 (E_RNA)
where:
Base-Base interactions energy: -1341.197
where: short stacking energy: -533.013
Base-Backbone interact. energy: -2.204
local terms energy: -563.099246
where:
bonds (distance) C4'-P energy: -105.188
bonds (distance) P-C4' energy: -110.411
flat angles C4'-P-C4' energy: -117.349
flat angles P-C4'-P energy: -84.115
tors. eta vs tors. theta energy: -146.037
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: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -1896.119622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.119622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.119622 (E_RNA)
where:
Base-Base interactions energy: -1353.603
where: short stacking energy: -551.920
Base-Backbone interact. energy: 0.716
local terms energy: -543.231886
where:
bonds (distance) C4'-P energy: -109.416
bonds (distance) P-C4' energy: -92.587
flat angles C4'-P-C4' energy: -114.931
flat angles P-C4'-P energy: -69.204
tors. eta vs tors. theta energy: -157.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -1788.427974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.427974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.427974 (E_RNA)
where:
Base-Base interactions energy: -1267.935
where: short stacking energy: -501.382
Base-Backbone interact. energy: 3.127
local terms energy: -523.620073
where:
bonds (distance) C4'-P energy: -102.270
bonds (distance) P-C4' energy: -99.189
flat angles C4'-P-C4' energy: -110.848
flat angles P-C4'-P energy: -86.310
tors. eta vs tors. theta energy: -125.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -1703.534819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.534819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.534819 (E_RNA)
where:
Base-Base interactions energy: -1206.000
where: short stacking energy: -489.979
Base-Backbone interact. energy: -3.533
local terms energy: -494.002281
where:
bonds (distance) C4'-P energy: -86.200
bonds (distance) P-C4' energy: -94.967
flat angles C4'-P-C4' energy: -111.418
flat angles P-C4'-P energy: -68.314
tors. eta vs tors. theta energy: -133.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -1654.256913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.256913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.256913 (E_RNA)
where:
Base-Base interactions energy: -1175.091
where: short stacking energy: -491.223
Base-Backbone interact. energy: 2.370
local terms energy: -481.536397
where:
bonds (distance) C4'-P energy: -76.549
bonds (distance) P-C4' energy: -100.370
flat angles C4'-P-C4' energy: -95.881
flat angles P-C4'-P energy: -76.147
tors. eta vs tors. theta energy: -132.589
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: 6, replica: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -1499.569221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.569221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.569221 (E_RNA)
where:
Base-Base interactions energy: -1037.252
where: short stacking energy: -422.480
Base-Backbone interact. energy: 0.526
local terms energy: -462.842713
where:
bonds (distance) C4'-P energy: -79.438
bonds (distance) P-C4' energy: -104.711
flat angles C4'-P-C4' energy: -97.749
flat angles P-C4'-P energy: -67.923
tors. eta vs tors. theta energy: -113.021
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: 7, replica: 7
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -1443.206147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.206147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.206147 (E_RNA)
where:
Base-Base interactions energy: -1025.781
where: short stacking energy: -441.209
Base-Backbone interact. energy: 1.339
local terms energy: -418.764042
where:
bonds (distance) C4'-P energy: -84.846
bonds (distance) P-C4' energy: -89.149
flat angles C4'-P-C4' energy: -81.270
flat angles P-C4'-P energy: -54.439
tors. eta vs tors. theta energy: -109.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -1305.950767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.950767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.950767 (E_RNA)
where:
Base-Base interactions energy: -890.258
where: short stacking energy: -377.589
Base-Backbone interact. energy: -4.150
local terms energy: -411.542017
where:
bonds (distance) C4'-P energy: -90.286
bonds (distance) P-C4' energy: -92.975
flat angles C4'-P-C4' energy: -88.286
flat angles P-C4'-P energy: -51.371
tors. eta vs tors. theta energy: -88.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -1173.857017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1173.857017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1173.857017 (E_RNA)
where:
Base-Base interactions energy: -787.289
where: short stacking energy: -332.150
Base-Backbone interact. energy: -1.535
local terms energy: -385.033167
where:
bonds (distance) C4'-P energy: -87.666
bonds (distance) P-C4' energy: -101.519
flat angles C4'-P-C4' energy: -75.006
flat angles P-C4'-P energy: -48.195
tors. eta vs tors. theta energy: -72.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -686.428243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.428243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.428243 (E_RNA)
where:
Base-Base interactions energy: -373.166
where: short stacking energy: -195.016
Base-Backbone interact. energy: -1.067
local terms energy: -312.195711
where:
bonds (distance) C4'-P energy: -89.368
bonds (distance) P-C4' energy: -79.913
flat angles C4'-P-C4' energy: -77.336
flat angles P-C4'-P energy: -46.502
tors. eta vs tors. theta energy: -19.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -1912.393941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.393941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.393941 (E_RNA)
where:
Base-Base interactions energy: -1371.750
where: short stacking energy: -551.022
Base-Backbone interact. energy: -1.897
local terms energy: -538.747042
where:
bonds (distance) C4'-P energy: -94.336
bonds (distance) P-C4' energy: -97.468
flat angles C4'-P-C4' energy: -118.007
flat angles P-C4'-P energy: -83.773
tors. eta vs tors. theta energy: -145.163
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: 2, replica: 4
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -1875.845280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.845280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.845280 (E_RNA)
where:
Base-Base interactions energy: -1320.947
where: short stacking energy: -523.310
Base-Backbone interact. energy: 5.278
local terms energy: -560.176899
where:
bonds (distance) C4'-P energy: -105.902
bonds (distance) P-C4' energy: -112.016
flat angles C4'-P-C4' energy: -120.862
flat angles P-C4'-P energy: -78.069
tors. eta vs tors. theta energy: -143.328
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: 1
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -1772.382171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.382171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.382171 (E_RNA)
where:
Base-Base interactions energy: -1288.918
where: short stacking energy: -525.619
Base-Backbone interact. energy: -3.041
local terms energy: -480.422743
where:
bonds (distance) C4'-P energy: -77.976
bonds (distance) P-C4' energy: -99.384
flat angles C4'-P-C4' energy: -112.508
flat angles P-C4'-P energy: -63.478
tors. eta vs tors. theta energy: -127.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -1659.578900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.578900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.578900 (E_RNA)
where:
Base-Base interactions energy: -1157.883
where: short stacking energy: -445.333
Base-Backbone interact. energy: -1.240
local terms energy: -500.455339
where:
bonds (distance) C4'-P energy: -107.357
bonds (distance) P-C4' energy: -101.775
flat angles C4'-P-C4' energy: -102.578
flat angles P-C4'-P energy: -75.445
tors. eta vs tors. theta energy: -113.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -1658.457660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.457660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.457660 (E_RNA)
where:
Base-Base interactions energy: -1167.642
where: short stacking energy: -472.579
Base-Backbone interact. energy: -1.439
local terms energy: -489.376889
where:
bonds (distance) C4'-P energy: -110.631
bonds (distance) P-C4' energy: -82.698
flat angles C4'-P-C4' energy: -107.809
flat angles P-C4'-P energy: -69.439
tors. eta vs tors. theta energy: -118.799
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: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -1499.177320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.177320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.177320 (E_RNA)
where:
Base-Base interactions energy: -1034.043
where: short stacking energy: -421.025
Base-Backbone interact. energy: -1.800
local terms energy: -463.334004
where:
bonds (distance) C4'-P energy: -86.419
bonds (distance) P-C4' energy: -94.055
flat angles C4'-P-C4' energy: -105.558
flat angles P-C4'-P energy: -68.131
tors. eta vs tors. theta energy: -109.171
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: 7
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -1389.270821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.270821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.270821 (E_RNA)
where:
Base-Base interactions energy: -956.619
where: short stacking energy: -404.703
Base-Backbone interact. energy: 4.011
local terms energy: -436.663053
where:
bonds (distance) C4'-P energy: -88.006
bonds (distance) P-C4' energy: -93.107
flat angles C4'-P-C4' energy: -100.692
flat angles P-C4'-P energy: -59.530
tors. eta vs tors. theta energy: -95.328
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: 5
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -1352.524754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.524754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.524754 (E_RNA)
where:
Base-Base interactions energy: -933.461
where: short stacking energy: -388.311
Base-Backbone interact. energy: -2.206
local terms energy: -416.857482
where:
bonds (distance) C4'-P energy: -82.409
bonds (distance) P-C4' energy: -82.605
flat angles C4'-P-C4' energy: -84.429
flat angles P-C4'-P energy: -73.632
tors. eta vs tors. theta energy: -93.783
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: 6
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -1125.753613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.753613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.753613 (E_RNA)
where:
Base-Base interactions energy: -746.526
where: short stacking energy: -320.320
Base-Backbone interact. energy: -1.499
local terms energy: -377.728358
where:
bonds (distance) C4'-P energy: -79.038
bonds (distance) P-C4' energy: -88.589
flat angles C4'-P-C4' energy: -83.546
flat angles P-C4'-P energy: -56.089
tors. eta vs tors. theta energy: -70.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -733.216689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.216689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.216689 (E_RNA)
where:
Base-Base interactions energy: -406.901
where: short stacking energy: -183.194
Base-Backbone interact. energy: -1.648
local terms energy: -324.667859
where:
bonds (distance) C4'-P energy: -88.408
bonds (distance) P-C4' energy: -88.045
flat angles C4'-P-C4' energy: -84.477
flat angles P-C4'-P energy: -46.557
tors. eta vs tors. theta energy: -17.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -1899.476777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.476777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.476777 (E_RNA)
where:
Base-Base interactions energy: -1362.450
where: short stacking energy: -539.967
Base-Backbone interact. energy: -0.521
local terms energy: -536.505081
where:
bonds (distance) C4'-P energy: -91.434
bonds (distance) P-C4' energy: -101.130
flat angles C4'-P-C4' energy: -123.080
flat angles P-C4'-P energy: -76.845
tors. eta vs tors. theta energy: -144.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -1900.707301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.707301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.707301 (E_RNA)
where:
Base-Base interactions energy: -1355.371
where: short stacking energy: -544.896
Base-Backbone interact. energy: 3.276
local terms energy: -548.612338
where:
bonds (distance) C4'-P energy: -98.552
bonds (distance) P-C4' energy: -114.704
flat angles C4'-P-C4' energy: -109.502
flat angles P-C4'-P energy: -73.290
tors. eta vs tors. theta energy: -152.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -1771.816539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.816539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.816539 (E_RNA)
where:
Base-Base interactions energy: -1264.063
where: short stacking energy: -514.750
Base-Backbone interact. energy: -3.651
local terms energy: -504.103423
where:
bonds (distance) C4'-P energy: -94.521
bonds (distance) P-C4' energy: -90.734
flat angles C4'-P-C4' energy: -105.131
flat angles P-C4'-P energy: -73.126
tors. eta vs tors. theta energy: -140.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -1688.237256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.237256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.237256 (E_RNA)
where:
Base-Base interactions energy: -1192.590
where: short stacking energy: -514.786
Base-Backbone interact. energy: -1.526
local terms energy: -494.121018
where:
bonds (distance) C4'-P energy: -93.076
bonds (distance) P-C4' energy: -94.651
flat angles C4'-P-C4' energy: -110.175
flat angles P-C4'-P energy: -69.060
tors. eta vs tors. theta energy: -127.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -1667.416130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.416130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.416130 (E_RNA)
where:
Base-Base interactions energy: -1169.339
where: short stacking energy: -486.345
Base-Backbone interact. energy: -0.494
local terms energy: -497.582859
where:
bonds (distance) C4'-P energy: -92.581
bonds (distance) P-C4' energy: -104.070
flat angles C4'-P-C4' energy: -98.829
flat angles P-C4'-P energy: -70.882
tors. eta vs tors. theta energy: -131.221
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: 9
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -1492.744870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.744870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.744870 (E_RNA)
where:
Base-Base interactions energy: -1042.569
where: short stacking energy: -436.012
Base-Backbone interact. energy: -0.782
local terms energy: -449.393906
where:
bonds (distance) C4'-P energy: -82.646
bonds (distance) P-C4' energy: -89.884
flat angles C4'-P-C4' energy: -103.889
flat angles P-C4'-P energy: -63.255
tors. eta vs tors. theta energy: -109.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -1376.147769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.147769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.147769 (E_RNA)
where:
Base-Base interactions energy: -941.397
where: short stacking energy: -426.256
Base-Backbone interact. energy: 0.510
local terms energy: -435.261717
where:
bonds (distance) C4'-P energy: -85.727
bonds (distance) P-C4' energy: -86.878
flat angles C4'-P-C4' energy: -101.317
flat angles P-C4'-P energy: -58.726
tors. eta vs tors. theta energy: -102.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -1333.102524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.102524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.102524 (E_RNA)
where:
Base-Base interactions energy: -914.728
where: short stacking energy: -375.867
Base-Backbone interact. energy: 4.657
local terms energy: -423.031684
where:
bonds (distance) C4'-P energy: -83.257
bonds (distance) P-C4' energy: -91.819
flat angles C4'-P-C4' energy: -91.676
flat angles P-C4'-P energy: -53.559
tors. eta vs tors. theta energy: -102.721
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: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -1125.180858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.180858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.180858 (E_RNA)
where:
Base-Base interactions energy: -757.973
where: short stacking energy: -327.503
Base-Backbone interact. energy: -0.302
local terms energy: -366.906205
where:
bonds (distance) C4'-P energy: -78.333
bonds (distance) P-C4' energy: -87.081
flat angles C4'-P-C4' energy: -84.996
flat angles P-C4'-P energy: -56.662
tors. eta vs tors. theta energy: -59.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -829.400010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.400010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.400010 (E_RNA)
where:
Base-Base interactions energy: -520.509
where: short stacking energy: -238.978
Base-Backbone interact. energy: -0.001
local terms energy: -308.889877
where:
bonds (distance) C4'-P energy: -79.971
bonds (distance) P-C4' energy: -76.529
flat angles C4'-P-C4' energy: -84.530
flat angles P-C4'-P energy: -39.521
tors. eta vs tors. theta energy: -28.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -1923.201910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.201910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.201910 (E_RNA)
where:
Base-Base interactions energy: -1371.618
where: short stacking energy: -554.762
Base-Backbone interact. energy: 0.224
local terms energy: -551.808428
where:
bonds (distance) C4'-P energy: -107.526
bonds (distance) P-C4' energy: -103.963
flat angles C4'-P-C4' energy: -119.614
flat angles P-C4'-P energy: -70.681
tors. eta vs tors. theta energy: -150.024
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: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -1902.163621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.163621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.163621 (E_RNA)
where:
Base-Base interactions energy: -1359.457
where: short stacking energy: -543.585
Base-Backbone interact. energy: 0.117
local terms energy: -542.824389
where:
bonds (distance) C4'-P energy: -99.298
bonds (distance) P-C4' energy: -90.536
flat angles C4'-P-C4' energy: -124.646
flat angles P-C4'-P energy: -76.597
tors. eta vs tors. theta energy: -151.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -1781.687468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.687468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.687468 (E_RNA)
where:
Base-Base interactions energy: -1275.070
where: short stacking energy: -514.503
Base-Backbone interact. energy: -2.571
local terms energy: -504.046664
where:
bonds (distance) C4'-P energy: -85.088
bonds (distance) P-C4' energy: -101.812
flat angles C4'-P-C4' energy: -103.180
flat angles P-C4'-P energy: -76.635
tors. eta vs tors. theta energy: -137.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -1699.459578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.459578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.459578 (E_RNA)
where:
Base-Base interactions energy: -1188.052
where: short stacking energy: -491.515
Base-Backbone interact. energy: -1.323
local terms energy: -510.084903
where:
bonds (distance) C4'-P energy: -95.781
bonds (distance) P-C4' energy: -91.695
flat angles C4'-P-C4' energy: -100.518
flat angles P-C4'-P energy: -86.422
tors. eta vs tors. theta energy: -135.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -1622.879664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.879664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.879664 (E_RNA)
where:
Base-Base interactions energy: -1154.544
where: short stacking energy: -483.555
Base-Backbone interact. energy: -4.432
local terms energy: -463.903879
where:
bonds (distance) C4'-P energy: -79.594
bonds (distance) P-C4' energy: -89.525
flat angles C4'-P-C4' energy: -108.304
flat angles P-C4'-P energy: -73.570
tors. eta vs tors. theta energy: -112.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -1525.459337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1525.459337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1525.459337 (E_RNA)
where:
Base-Base interactions energy: -1082.266
where: short stacking energy: -498.589
Base-Backbone interact. energy: -0.495
local terms energy: -442.697953
where:
bonds (distance) C4'-P energy: -92.024
bonds (distance) P-C4' energy: -75.387
flat angles C4'-P-C4' energy: -89.653
flat angles P-C4'-P energy: -61.524
tors. eta vs tors. theta energy: -124.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -1374.775710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.775710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.775710 (E_RNA)
where:
Base-Base interactions energy: -931.632
where: short stacking energy: -394.998
Base-Backbone interact. energy: -1.755
local terms energy: -441.388898
where:
bonds (distance) C4'-P energy: -81.137
bonds (distance) P-C4' energy: -76.942
flat angles C4'-P-C4' energy: -108.444
flat angles P-C4'-P energy: -70.635
tors. eta vs tors. theta energy: -104.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -1273.381247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.381247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.381247 (E_RNA)
where:
Base-Base interactions energy: -856.686
where: short stacking energy: -353.168
Base-Backbone interact. energy: -2.466
local terms energy: -414.229291
where:
bonds (distance) C4'-P energy: -99.253
bonds (distance) P-C4' energy: -75.131
flat angles C4'-P-C4' energy: -105.616
flat angles P-C4'-P energy: -59.232
tors. eta vs tors. theta energy: -74.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -1086.048422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.048422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.048422 (E_RNA)
where:
Base-Base interactions energy: -700.040
where: short stacking energy: -319.024
Base-Backbone interact. energy: -0.235
local terms energy: -385.773299
where:
bonds (distance) C4'-P energy: -81.720
bonds (distance) P-C4' energy: -97.438
flat angles C4'-P-C4' energy: -79.695
flat angles P-C4'-P energy: -60.948
tors. eta vs tors. theta energy: -65.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -781.873121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.873121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.873121 (E_RNA)
where:
Base-Base interactions energy: -434.676
where: short stacking energy: -218.064
Base-Backbone interact. energy: 1.204
local terms energy: -348.401679
where:
bonds (distance) C4'-P energy: -83.017
bonds (distance) P-C4' energy: -107.038
flat angles C4'-P-C4' energy: -70.490
flat angles P-C4'-P energy: -55.497
tors. eta vs tors. theta energy: -32.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -1937.951150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1937.951150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1937.951150 (E_RNA)
where:
Base-Base interactions energy: -1384.493
where: short stacking energy: -543.457
Base-Backbone interact. energy: -3.539
local terms energy: -549.918527
where:
bonds (distance) C4'-P energy: -95.526
bonds (distance) P-C4' energy: -112.966
flat angles C4'-P-C4' energy: -112.279
flat angles P-C4'-P energy: -84.040
tors. eta vs tors. theta energy: -145.107
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: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -1896.339757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.339757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.339757 (E_RNA)
where:
Base-Base interactions energy: -1345.769
where: short stacking energy: -547.829
Base-Backbone interact. energy: -4.971
local terms energy: -545.599119
where:
bonds (distance) C4'-P energy: -100.634
bonds (distance) P-C4' energy: -106.328
flat angles C4'-P-C4' energy: -106.617
flat angles P-C4'-P energy: -80.018
tors. eta vs tors. theta energy: -152.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -1767.094638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.094638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.094638 (E_RNA)
where:
Base-Base interactions energy: -1247.142
where: short stacking energy: -502.009
Base-Backbone interact. energy: -2.839
local terms energy: -517.113253
where:
bonds (distance) C4'-P energy: -104.717
bonds (distance) P-C4' energy: -101.269
flat angles C4'-P-C4' energy: -108.818
flat angles P-C4'-P energy: -73.996
tors. eta vs tors. theta energy: -128.312
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: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -1690.578898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1690.578898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1690.578898 (E_RNA)
where:
Base-Base interactions energy: -1182.070
where: short stacking energy: -481.615
Base-Backbone interact. energy: 1.344
local terms energy: -509.852819
where:
bonds (distance) C4'-P energy: -87.626
bonds (distance) P-C4' energy: -87.280
flat angles C4'-P-C4' energy: -123.873
flat angles P-C4'-P energy: -84.111
tors. eta vs tors. theta energy: -126.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -1631.726397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.726397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.726397 (E_RNA)
where:
Base-Base interactions energy: -1140.588
where: short stacking energy: -459.033
Base-Backbone interact. energy: -4.236
local terms energy: -486.902912
where:
bonds (distance) C4'-P energy: -85.944
bonds (distance) P-C4' energy: -104.067
flat angles C4'-P-C4' energy: -107.409
flat angles P-C4'-P energy: -71.840
tors. eta vs tors. theta energy: -117.643
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: 9
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -1546.551734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.551734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.551734 (E_RNA)
where:
Base-Base interactions energy: -1073.852
where: short stacking energy: -463.201
Base-Backbone interact. energy: 0.420
local terms energy: -473.120140
where:
bonds (distance) C4'-P energy: -88.401
bonds (distance) P-C4' energy: -93.476
flat angles C4'-P-C4' energy: -113.779
flat angles P-C4'-P energy: -67.209
tors. eta vs tors. theta energy: -110.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -1367.417232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.417232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.417232 (E_RNA)
where:
Base-Base interactions energy: -937.064
where: short stacking energy: -386.764
Base-Backbone interact. energy: -0.790
local terms energy: -429.563455
where:
bonds (distance) C4'-P energy: -88.764
bonds (distance) P-C4' energy: -95.129
flat angles C4'-P-C4' energy: -95.314
flat angles P-C4'-P energy: -58.551
tors. eta vs tors. theta energy: -91.806
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: 5
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -1268.834954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.834954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.834954 (E_RNA)
where:
Base-Base interactions energy: -887.074
where: short stacking energy: -347.557
Base-Backbone interact. energy: -5.991
local terms energy: -375.769416
where:
bonds (distance) C4'-P energy: -81.183
bonds (distance) P-C4' energy: -77.023
flat angles C4'-P-C4' energy: -96.944
flat angles P-C4'-P energy: -45.856
tors. eta vs tors. theta energy: -74.764
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: 6
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -1131.346234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.346234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.346234 (E_RNA)
where:
Base-Base interactions energy: -739.688
where: short stacking energy: -322.760
Base-Backbone interact. energy: -2.108
local terms energy: -389.550923
where:
bonds (distance) C4'-P energy: -76.701
bonds (distance) P-C4' energy: -93.835
flat angles C4'-P-C4' energy: -90.397
flat angles P-C4'-P energy: -59.853
tors. eta vs tors. theta energy: -68.764
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: 10, replica: 10
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -708.570225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.570225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.570225 (E_RNA)
where:
Base-Base interactions energy: -422.066
where: short stacking energy: -209.866
Base-Backbone interact. energy: -0.320
local terms energy: -286.183668
where:
bonds (distance) C4'-P energy: -85.970
bonds (distance) P-C4' energy: -71.579
flat angles C4'-P-C4' energy: -82.884
flat angles P-C4'-P energy: -39.182
tors. eta vs tors. theta energy: -6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -1933.197994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.197994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.197994 (E_RNA)
where:
Base-Base interactions energy: -1384.211
where: short stacking energy: -546.283
Base-Backbone interact. energy: 5.016
local terms energy: -554.003133
where:
bonds (distance) C4'-P energy: -92.995
bonds (distance) P-C4' energy: -107.402
flat angles C4'-P-C4' energy: -122.768
flat angles P-C4'-P energy: -87.422
tors. eta vs tors. theta energy: -143.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -1912.698709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.698709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.698709 (E_RNA)
where:
Base-Base interactions energy: -1344.680
where: short stacking energy: -561.235
Base-Backbone interact. energy: -3.166
local terms energy: -564.852762
where:
bonds (distance) C4'-P energy: -102.999
bonds (distance) P-C4' energy: -99.846
flat angles C4'-P-C4' energy: -122.845
flat angles P-C4'-P energy: -85.010
tors. eta vs tors. theta energy: -154.154
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: 1
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -1818.565243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.565243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.565243 (E_RNA)
where:
Base-Base interactions energy: -1278.858
where: short stacking energy: -522.580
Base-Backbone interact. energy: -1.162
local terms energy: -538.544733
where:
bonds (distance) C4'-P energy: -106.332
bonds (distance) P-C4' energy: -105.826
flat angles C4'-P-C4' energy: -108.337
flat angles P-C4'-P energy: -72.814
tors. eta vs tors. theta energy: -145.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -1743.820419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.820419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.820419 (E_RNA)
where:
Base-Base interactions energy: -1219.800
where: short stacking energy: -518.536
Base-Backbone interact. energy: -2.216
local terms energy: -521.804022
where:
bonds (distance) C4'-P energy: -114.309
bonds (distance) P-C4' energy: -89.664
flat angles C4'-P-C4' energy: -104.353
flat angles P-C4'-P energy: -77.291
tors. eta vs tors. theta energy: -136.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -1620.911817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.911817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.911817 (E_RNA)
where:
Base-Base interactions energy: -1144.694
where: short stacking energy: -465.857
Base-Backbone interact. energy: 4.500
local terms energy: -480.717838
where:
bonds (distance) C4'-P energy: -94.540
bonds (distance) P-C4' energy: -100.633
flat angles C4'-P-C4' energy: -102.412
flat angles P-C4'-P energy: -62.638
tors. eta vs tors. theta energy: -120.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -1445.133239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.133239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.133239 (E_RNA)
where:
Base-Base interactions energy: -1018.196
where: short stacking energy: -416.683
Base-Backbone interact. energy: 1.843
local terms energy: -428.780068
where:
bonds (distance) C4'-P energy: -90.264
bonds (distance) P-C4' energy: -86.009
flat angles C4'-P-C4' energy: -97.080
flat angles P-C4'-P energy: -66.927
tors. eta vs tors. theta energy: -88.500
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: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -1360.799173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.799173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.799173 (E_RNA)
where:
Base-Base interactions energy: -902.343
where: short stacking energy: -381.869
Base-Backbone interact. energy: -2.676
local terms energy: -455.779656
where:
bonds (distance) C4'-P energy: -90.153
bonds (distance) P-C4' energy: -103.315
flat angles C4'-P-C4' energy: -97.346
flat angles P-C4'-P energy: -57.002
tors. eta vs tors. theta energy: -107.964
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: 5
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -1258.675591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.675591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.675591 (E_RNA)
where:
Base-Base interactions energy: -849.534
where: short stacking energy: -331.962
Base-Backbone interact. energy: -1.548
local terms energy: -407.593449
where:
bonds (distance) C4'-P energy: -86.087
bonds (distance) P-C4' energy: -88.166
flat angles C4'-P-C4' energy: -88.377
flat angles P-C4'-P energy: -54.949
tors. eta vs tors. theta energy: -90.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -1134.061986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.061986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.061986 (E_RNA)
where:
Base-Base interactions energy: -766.746
where: short stacking energy: -308.478
Base-Backbone interact. energy: 0.496
local terms energy: -367.811539
where:
bonds (distance) C4'-P energy: -79.793
bonds (distance) P-C4' energy: -89.363
flat angles C4'-P-C4' energy: -96.514
flat angles P-C4'-P energy: -52.246
tors. eta vs tors. theta energy: -49.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -775.703364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -775.703364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -775.703364 (E_RNA)
where:
Base-Base interactions energy: -468.324
where: short stacking energy: -241.077
Base-Backbone interact. energy: -3.213
local terms energy: -304.165694
where:
bonds (distance) C4'-P energy: -76.313
bonds (distance) P-C4' energy: -94.331
flat angles C4'-P-C4' energy: -73.818
flat angles P-C4'-P energy: -38.488
tors. eta vs tors. theta energy: -21.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -1928.940789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.940789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.940789 (E_RNA)
where:
Base-Base interactions energy: -1371.070
where: short stacking energy: -547.207
Base-Backbone interact. energy: -2.214
local terms energy: -555.656328
where:
bonds (distance) C4'-P energy: -102.738
bonds (distance) P-C4' energy: -98.901
flat angles C4'-P-C4' energy: -117.671
flat angles P-C4'-P energy: -91.567
tors. eta vs tors. theta energy: -144.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -1886.041284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.041284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.041284 (E_RNA)
where:
Base-Base interactions energy: -1329.992
where: short stacking energy: -542.108
Base-Backbone interact. energy: -1.293
local terms energy: -554.756742
where:
bonds (distance) C4'-P energy: -99.895
bonds (distance) P-C4' energy: -104.129
flat angles C4'-P-C4' energy: -112.806
flat angles P-C4'-P energy: -82.580
tors. eta vs tors. theta energy: -155.347
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: 1
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -1826.846424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.846424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.846424 (E_RNA)
where:
Base-Base interactions energy: -1307.579
where: short stacking energy: -535.118
Base-Backbone interact. energy: -2.364
local terms energy: -516.903178
where:
bonds (distance) C4'-P energy: -90.395
bonds (distance) P-C4' energy: -83.948
flat angles C4'-P-C4' energy: -116.128
flat angles P-C4'-P energy: -84.475
tors. eta vs tors. theta energy: -141.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -1710.898225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.898225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.898225 (E_RNA)
where:
Base-Base interactions energy: -1218.774
where: short stacking energy: -492.526
Base-Backbone interact. energy: -2.580
local terms energy: -489.544401
where:
bonds (distance) C4'-P energy: -84.313
bonds (distance) P-C4' energy: -88.506
flat angles C4'-P-C4' energy: -109.543
flat angles P-C4'-P energy: -78.962
tors. eta vs tors. theta energy: -128.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -1618.144369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.144369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.144369 (E_RNA)
where:
Base-Base interactions energy: -1144.237
where: short stacking energy: -463.406
Base-Backbone interact. energy: 1.663
local terms energy: -475.570091
where:
bonds (distance) C4'-P energy: -95.943
bonds (distance) P-C4' energy: -91.190
flat angles C4'-P-C4' energy: -95.717
flat angles P-C4'-P energy: -67.527
tors. eta vs tors. theta energy: -125.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -1444.404635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.404635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.404635 (E_RNA)
where:
Base-Base interactions energy: -1009.788
where: short stacking energy: -435.825
Base-Backbone interact. energy: 0.556
local terms energy: -435.172012
where:
bonds (distance) C4'-P energy: -82.429
bonds (distance) P-C4' energy: -85.594
flat angles C4'-P-C4' energy: -103.465
flat angles P-C4'-P energy: -68.077
tors. eta vs tors. theta energy: -95.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -1306.614110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.614110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.614110 (E_RNA)
where:
Base-Base interactions energy: -893.192
where: short stacking energy: -372.970
Base-Backbone interact. energy: -0.925
local terms energy: -412.497412
where:
bonds (distance) C4'-P energy: -83.181
bonds (distance) P-C4' energy: -91.507
flat angles C4'-P-C4' energy: -93.419
flat angles P-C4'-P energy: -55.716
tors. eta vs tors. theta energy: -88.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -1227.019258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.019258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.019258 (E_RNA)
where:
Base-Base interactions energy: -853.020
where: short stacking energy: -357.607
Base-Backbone interact. energy: 1.348
local terms energy: -375.347127
where:
bonds (distance) C4'-P energy: -77.299
bonds (distance) P-C4' energy: -83.498
flat angles C4'-P-C4' energy: -87.374
flat angles P-C4'-P energy: -53.476
tors. eta vs tors. theta energy: -73.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -1115.209288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1115.209288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1115.209288 (E_RNA)
where:
Base-Base interactions energy: -760.190
where: short stacking energy: -312.972
Base-Backbone interact. energy: 0.866
local terms energy: -355.885090
where:
bonds (distance) C4'-P energy: -81.332
bonds (distance) P-C4' energy: -84.873
flat angles C4'-P-C4' energy: -75.815
flat angles P-C4'-P energy: -58.224
tors. eta vs tors. theta energy: -55.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -808.670085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.670085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.670085 (E_RNA)
where:
Base-Base interactions energy: -470.725
where: short stacking energy: -220.396
Base-Backbone interact. energy: -2.085
local terms energy: -335.859758
where:
bonds (distance) C4'-P energy: -72.550
bonds (distance) P-C4' energy: -81.862
flat angles C4'-P-C4' energy: -99.421
flat angles P-C4'-P energy: -62.380
tors. eta vs tors. theta energy: -19.646
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: 1, replica: 2
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -1903.405609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.405609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.405609 (E_RNA)
where:
Base-Base interactions energy: -1358.758
where: short stacking energy: -562.590
Base-Backbone interact. energy: -2.878
local terms energy: -541.769508
where:
bonds (distance) C4'-P energy: -91.363
bonds (distance) P-C4' energy: -109.050
flat angles C4'-P-C4' energy: -108.117
flat angles P-C4'-P energy: -74.018
tors. eta vs tors. theta energy: -159.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -1862.294483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.294483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.294483 (E_RNA)
where:
Base-Base interactions energy: -1311.509
where: short stacking energy: -548.826
Base-Backbone interact. energy: 3.059
local terms energy: -553.844595
where:
bonds (distance) C4'-P energy: -101.695
bonds (distance) P-C4' energy: -109.586
flat angles C4'-P-C4' energy: -106.952
flat angles P-C4'-P energy: -83.627
tors. eta vs tors. theta energy: -151.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -1808.344007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.344007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.344007 (E_RNA)
where:
Base-Base interactions energy: -1267.670
where: short stacking energy: -522.693
Base-Backbone interact. energy: -0.895
local terms energy: -539.779302
where:
bonds (distance) C4'-P energy: -96.289
bonds (distance) P-C4' energy: -105.929
flat angles C4'-P-C4' energy: -127.113
flat angles P-C4'-P energy: -67.570
tors. eta vs tors. theta energy: -142.878
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: 206
Temperature: 1.050000
Total energy: -1739.039254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.039254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.039254 (E_RNA)
where:
Base-Base interactions energy: -1239.860
where: short stacking energy: -506.170
Base-Backbone interact. energy: -2.726
local terms energy: -496.453519
where:
bonds (distance) C4'-P energy: -93.184
bonds (distance) P-C4' energy: -99.668
flat angles C4'-P-C4' energy: -104.053
flat angles P-C4'-P energy: -66.078
tors. eta vs tors. theta energy: -133.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -1590.613178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.613178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.613178 (E_RNA)
where:
Base-Base interactions energy: -1121.068
where: short stacking energy: -455.956
Base-Backbone interact. energy: -2.437
local terms energy: -467.108196
where:
bonds (distance) C4'-P energy: -79.082
bonds (distance) P-C4' energy: -107.410
flat angles C4'-P-C4' energy: -111.679
flat angles P-C4'-P energy: -55.157
tors. eta vs tors. theta energy: -113.780
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: 9
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -1483.901784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.901784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.901784 (E_RNA)
where:
Base-Base interactions energy: -1027.252
where: short stacking energy: -441.231
Base-Backbone interact. energy: -2.285
local terms energy: -454.364540
where:
bonds (distance) C4'-P energy: -84.523
bonds (distance) P-C4' energy: -79.673
flat angles C4'-P-C4' energy: -114.465
flat angles P-C4'-P energy: -73.548
tors. eta vs tors. theta energy: -102.155
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: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -1345.395589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.395589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.395589 (E_RNA)
where:
Base-Base interactions energy: -926.261
where: short stacking energy: -384.554
Base-Backbone interact. energy: -0.118
local terms energy: -419.015968
where:
bonds (distance) C4'-P energy: -72.309
bonds (distance) P-C4' energy: -80.014
flat angles C4'-P-C4' energy: -100.106
flat angles P-C4'-P energy: -66.495
tors. eta vs tors. theta energy: -100.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -1281.309877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.309877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.309877 (E_RNA)
where:
Base-Base interactions energy: -859.930
where: short stacking energy: -363.091
Base-Backbone interact. energy: 1.748
local terms energy: -423.127235
where:
bonds (distance) C4'-P energy: -88.585
bonds (distance) P-C4' energy: -101.468
flat angles C4'-P-C4' energy: -91.678
flat angles P-C4'-P energy: -52.405
tors. eta vs tors. theta energy: -88.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -1118.937091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.937091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.937091 (E_RNA)
where:
Base-Base interactions energy: -724.084
where: short stacking energy: -312.939
Base-Backbone interact. energy: 0.547
local terms energy: -395.399392
where:
bonds (distance) C4'-P energy: -102.676
bonds (distance) P-C4' energy: -85.136
flat angles C4'-P-C4' energy: -89.267
flat angles P-C4'-P energy: -56.708
tors. eta vs tors. theta energy: -61.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -865.509338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.509338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.509338 (E_RNA)
where:
Base-Base interactions energy: -535.867
where: short stacking energy: -255.058
Base-Backbone interact. energy: -1.815
local terms energy: -327.827989
where:
bonds (distance) C4'-P energy: -81.233
bonds (distance) P-C4' energy: -96.871
flat angles C4'-P-C4' energy: -77.450
flat angles P-C4'-P energy: -42.292
tors. eta vs tors. theta energy: -29.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -1949.701182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.701182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.701182 (E_RNA)
where:
Base-Base interactions energy: -1394.275
where: short stacking energy: -566.169
Base-Backbone interact. energy: -1.352
local terms energy: -554.074936
where:
bonds (distance) C4'-P energy: -98.143
bonds (distance) P-C4' energy: -103.097
flat angles C4'-P-C4' energy: -113.250
flat angles P-C4'-P energy: -79.983
tors. eta vs tors. theta energy: -159.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -1887.886627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.886627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.886627 (E_RNA)
where:
Base-Base interactions energy: -1330.171
where: short stacking energy: -554.942
Base-Backbone interact. energy: 1.210
local terms energy: -558.925813
where:
bonds (distance) C4'-P energy: -102.619
bonds (distance) P-C4' energy: -103.093
flat angles C4'-P-C4' energy: -113.654
flat angles P-C4'-P energy: -74.816
tors. eta vs tors. theta energy: -164.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -1817.043198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.043198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.043198 (E_RNA)
where:
Base-Base interactions energy: -1291.621
where: short stacking energy: -525.145
Base-Backbone interact. energy: -1.917
local terms energy: -523.504518
where:
bonds (distance) C4'-P energy: -90.020
bonds (distance) P-C4' energy: -102.240
flat angles C4'-P-C4' energy: -110.120
flat angles P-C4'-P energy: -77.733
tors. eta vs tors. theta energy: -143.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -1726.544041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.544041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.544041 (E_RNA)
where:
Base-Base interactions energy: -1226.206
where: short stacking energy: -495.823
Base-Backbone interact. energy: -2.099
local terms energy: -498.239069
where:
bonds (distance) C4'-P energy: -83.835
bonds (distance) P-C4' energy: -95.028
flat angles C4'-P-C4' energy: -111.005
flat angles P-C4'-P energy: -70.449
tors. eta vs tors. theta energy: -137.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -1579.163320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.163320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.163320 (E_RNA)
where:
Base-Base interactions energy: -1126.193
where: short stacking energy: -446.525
Base-Backbone interact. energy: -0.424
local terms energy: -452.545923
where:
bonds (distance) C4'-P energy: -76.794
bonds (distance) P-C4' energy: -90.814
flat angles C4'-P-C4' energy: -110.627
flat angles P-C4'-P energy: -75.733
tors. eta vs tors. theta energy: -98.578
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: 9
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -1444.995143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.995143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.995143 (E_RNA)
where:
Base-Base interactions energy: -1000.480
where: short stacking energy: -431.897
Base-Backbone interact. energy: -0.244
local terms energy: -444.271109
where:
bonds (distance) C4'-P energy: -78.290
bonds (distance) P-C4' energy: -81.311
flat angles C4'-P-C4' energy: -105.268
flat angles P-C4'-P energy: -65.924
tors. eta vs tors. theta energy: -113.478
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: 207
Temperature: 1.200000
Total energy: -1375.501423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.501423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.501423 (E_RNA)
where:
Base-Base interactions energy: -921.736
where: short stacking energy: -406.565
Base-Backbone interact. energy: -0.440
local terms energy: -453.325895
where:
bonds (distance) C4'-P energy: -84.199
bonds (distance) P-C4' energy: -97.138
flat angles C4'-P-C4' energy: -107.789
flat angles P-C4'-P energy: -59.007
tors. eta vs tors. theta energy: -105.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -1288.642490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.642490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.642490 (E_RNA)
where:
Base-Base interactions energy: -879.926
where: short stacking energy: -376.426
Base-Backbone interact. energy: 3.349
local terms energy: -412.065504
where:
bonds (distance) C4'-P energy: -75.239
bonds (distance) P-C4' energy: -96.412
flat angles C4'-P-C4' energy: -85.492
flat angles P-C4'-P energy: -68.884
tors. eta vs tors. theta energy: -86.037
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: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -1105.544771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1105.544771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1105.544771 (E_RNA)
where:
Base-Base interactions energy: -738.764
where: short stacking energy: -329.981
Base-Backbone interact. energy: -1.225
local terms energy: -365.555732
where:
bonds (distance) C4'-P energy: -69.446
bonds (distance) P-C4' energy: -85.233
flat angles C4'-P-C4' energy: -85.270
flat angles P-C4'-P energy: -62.545
tors. eta vs tors. theta energy: -63.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -867.022710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.022710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.022710 (E_RNA)
where:
Base-Base interactions energy: -546.677
where: short stacking energy: -257.480
Base-Backbone interact. energy: -1.680
local terms energy: -318.666258
where:
bonds (distance) C4'-P energy: -79.928
bonds (distance) P-C4' energy: -77.646
flat angles C4'-P-C4' energy: -76.020
flat angles P-C4'-P energy: -42.099
tors. eta vs tors. theta energy: -42.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -1926.150713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.150713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.150713 (E_RNA)
where:
Base-Base interactions energy: -1363.914
where: short stacking energy: -560.025
Base-Backbone interact. energy: -4.221
local terms energy: -558.015759
where:
bonds (distance) C4'-P energy: -110.212
bonds (distance) P-C4' energy: -100.730
flat angles C4'-P-C4' energy: -123.030
flat angles P-C4'-P energy: -75.137
tors. eta vs tors. theta energy: -148.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -1869.418802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.418802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.418802 (E_RNA)
where:
Base-Base interactions energy: -1319.788
where: short stacking energy: -527.094
Base-Backbone interact. energy: -2.654
local terms energy: -546.976840
where:
bonds (distance) C4'-P energy: -109.031
bonds (distance) P-C4' energy: -96.294
flat angles C4'-P-C4' energy: -111.024
flat angles P-C4'-P energy: -79.686
tors. eta vs tors. theta energy: -150.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -1831.622255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.622255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.622255 (E_RNA)
where:
Base-Base interactions energy: -1297.469
where: short stacking energy: -539.205
Base-Backbone interact. energy: -1.468
local terms energy: -532.685284
where:
bonds (distance) C4'-P energy: -101.925
bonds (distance) P-C4' energy: -88.794
flat angles C4'-P-C4' energy: -107.790
flat angles P-C4'-P energy: -82.475
tors. eta vs tors. theta energy: -151.700
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: 208
Temperature: 1.050000
Total energy: -1701.013129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.013129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.013129 (E_RNA)
where:
Base-Base interactions energy: -1202.368
where: short stacking energy: -494.017
Base-Backbone interact. energy: -3.626
local terms energy: -495.019492
where:
bonds (distance) C4'-P energy: -87.007
bonds (distance) P-C4' energy: -96.727
flat angles C4'-P-C4' energy: -100.447
flat angles P-C4'-P energy: -66.884
tors. eta vs tors. theta energy: -143.954
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: 8
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -1694.631868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.631868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.631868 (E_RNA)
where:
Base-Base interactions energy: -1228.798
where: short stacking energy: -488.294
Base-Backbone interact. energy: 1.009
local terms energy: -466.842715
where:
bonds (distance) C4'-P energy: -88.574
bonds (distance) P-C4' energy: -88.757
flat angles C4'-P-C4' energy: -108.007
flat angles P-C4'-P energy: -60.713
tors. eta vs tors. theta energy: -120.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -1442.077305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.077305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.077305 (E_RNA)
where:
Base-Base interactions energy: -1006.236
where: short stacking energy: -436.297
Base-Backbone interact. energy: 3.705
local terms energy: -439.545749
where:
bonds (distance) C4'-P energy: -85.784
bonds (distance) P-C4' energy: -71.795
flat angles C4'-P-C4' energy: -112.566
flat angles P-C4'-P energy: -73.357
tors. eta vs tors. theta energy: -96.043
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: 5
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -1310.970452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.970452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.970452 (E_RNA)
where:
Base-Base interactions energy: -901.949
where: short stacking energy: -366.930
Base-Backbone interact. energy: -0.442
local terms energy: -408.578756
where:
bonds (distance) C4'-P energy: -96.629
bonds (distance) P-C4' energy: -83.403
flat angles C4'-P-C4' energy: -96.553
flat angles P-C4'-P energy: -61.752
tors. eta vs tors. theta energy: -70.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -1308.516133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.516133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.516133 (E_RNA)
where:
Base-Base interactions energy: -899.064
where: short stacking energy: -367.363
Base-Backbone interact. energy: 0.383
local terms energy: -409.835435
where:
bonds (distance) C4'-P energy: -78.558
bonds (distance) P-C4' energy: -79.850
flat angles C4'-P-C4' energy: -87.152
flat angles P-C4'-P energy: -72.629
tors. eta vs tors. theta energy: -91.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -1060.027303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.027303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.027303 (E_RNA)
where:
Base-Base interactions energy: -726.286
where: short stacking energy: -302.589
Base-Backbone interact. energy: -0.583
local terms energy: -333.158603
where:
bonds (distance) C4'-P energy: -83.910
bonds (distance) P-C4' energy: -84.386
flat angles C4'-P-C4' energy: -72.677
flat angles P-C4'-P energy: -45.183
tors. eta vs tors. theta energy: -47.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -883.088878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.088878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.088878 (E_RNA)
where:
Base-Base interactions energy: -552.669
where: short stacking energy: -241.693
Base-Backbone interact. energy: -1.701
local terms energy: -328.719008
where:
bonds (distance) C4'-P energy: -67.650
bonds (distance) P-C4' energy: -91.139
flat angles C4'-P-C4' energy: -87.647
flat angles P-C4'-P energy: -61.491
tors. eta vs tors. theta energy: -20.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -1923.907379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.907379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.907379 (E_RNA)
where:
Base-Base interactions energy: -1367.039
where: short stacking energy: -568.575
Base-Backbone interact. energy: -1.678
local terms energy: -555.189496
where:
bonds (distance) C4'-P energy: -100.783
bonds (distance) P-C4' energy: -101.201
flat angles C4'-P-C4' energy: -112.743
flat angles P-C4'-P energy: -83.191
tors. eta vs tors. theta energy: -157.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -1856.905834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.905834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.905834 (E_RNA)
where:
Base-Base interactions energy: -1337.349
where: short stacking energy: -536.007
Base-Backbone interact. energy: -1.304
local terms energy: -518.252465
where:
bonds (distance) C4'-P energy: -94.059
bonds (distance) P-C4' energy: -92.040
flat angles C4'-P-C4' energy: -117.261
flat angles P-C4'-P energy: -74.175
tors. eta vs tors. theta energy: -140.718
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: 209
Temperature: 1.000000
Total energy: -1841.272780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.272780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.272780 (E_RNA)
where:
Base-Base interactions energy: -1323.390
where: short stacking energy: -556.508
Base-Backbone interact. energy: -0.867
local terms energy: -517.015023
where:
bonds (distance) C4'-P energy: -83.732
bonds (distance) P-C4' energy: -93.769
flat angles C4'-P-C4' energy: -108.787
flat angles P-C4'-P energy: -82.942
tors. eta vs tors. theta energy: -147.785
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: 8
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -1720.803750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.803750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.803750 (E_RNA)
where:
Base-Base interactions energy: -1216.200
where: short stacking energy: -477.079
Base-Backbone interact. energy: 3.502
local terms energy: -508.105781
where:
bonds (distance) C4'-P energy: -96.602
bonds (distance) P-C4' energy: -92.326
flat angles C4'-P-C4' energy: -111.348
flat angles P-C4'-P energy: -73.399
tors. eta vs tors. theta energy: -134.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -1646.207017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.207017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.207017 (E_RNA)
where:
Base-Base interactions energy: -1182.424
where: short stacking energy: -480.132
Base-Backbone interact. energy: -0.522
local terms energy: -463.260184
where:
bonds (distance) C4'-P energy: -86.965
bonds (distance) P-C4' energy: -93.520
flat angles C4'-P-C4' energy: -95.244
flat angles P-C4'-P energy: -63.688
tors. eta vs tors. theta energy: -123.844
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: 9
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -1443.063107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.063107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.063107 (E_RNA)
where:
Base-Base interactions energy: -996.082
where: short stacking energy: -435.717
Base-Backbone interact. energy: -2.874
local terms energy: -444.107646
where:
bonds (distance) C4'-P energy: -76.016
bonds (distance) P-C4' energy: -87.987
flat angles C4'-P-C4' energy: -105.454
flat angles P-C4'-P energy: -66.324
tors. eta vs tors. theta energy: -108.326
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: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -1340.698611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.698611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.698611 (E_RNA)
where:
Base-Base interactions energy: -931.139
where: short stacking energy: -409.939
Base-Backbone interact. energy: -1.858
local terms energy: -407.701256
where:
bonds (distance) C4'-P energy: -87.127
bonds (distance) P-C4' energy: -62.343
flat angles C4'-P-C4' energy: -101.504
flat angles P-C4'-P energy: -64.951
tors. eta vs tors. theta energy: -91.776
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: 209
Temperature: 1.250000
Total energy: -1321.129865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.129865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.129865 (E_RNA)
where:
Base-Base interactions energy: -924.748
where: short stacking energy: -398.039
Base-Backbone interact. energy: -0.534
local terms energy: -395.847071
where:
bonds (distance) C4'-P energy: -92.287
bonds (distance) P-C4' energy: -75.590
flat angles C4'-P-C4' energy: -93.824
flat angles P-C4'-P energy: -50.153
tors. eta vs tors. theta energy: -83.993
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: 6
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -1029.535519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1029.535519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1029.535519 (E_RNA)
where:
Base-Base interactions energy: -689.183
where: short stacking energy: -284.910
Base-Backbone interact. energy: -2.080
local terms energy: -338.272967
where:
bonds (distance) C4'-P energy: -78.570
bonds (distance) P-C4' energy: -79.371
flat angles C4'-P-C4' energy: -84.430
flat angles P-C4'-P energy: -34.521
tors. eta vs tors. theta energy: -61.381
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: 10
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -892.060046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.060046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.060046 (E_RNA)
where:
Base-Base interactions energy: -575.163
where: short stacking energy: -263.865
Base-Backbone interact. energy: -2.674
local terms energy: -314.223323
where:
bonds (distance) C4'-P energy: -70.112
bonds (distance) P-C4' energy: -104.093
flat angles C4'-P-C4' energy: -65.438
flat angles P-C4'-P energy: -48.403
tors. eta vs tors. theta energy: -26.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -1906.779907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.779907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.779907 (E_RNA)
where:
Base-Base interactions energy: -1336.749
where: short stacking energy: -567.400
Base-Backbone interact. energy: -2.550
local terms energy: -567.481053
where:
bonds (distance) C4'-P energy: -87.534
bonds (distance) P-C4' energy: -109.723
flat angles C4'-P-C4' energy: -107.305
flat angles P-C4'-P energy: -98.452
tors. eta vs tors. theta energy: -164.467
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: 1
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -1857.854317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.854317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.854317 (E_RNA)
where:
Base-Base interactions energy: -1324.200
where: short stacking energy: -546.080
Base-Backbone interact. energy: -2.496
local terms energy: -531.158512
where:
bonds (distance) C4'-P energy: -93.033
bonds (distance) P-C4' energy: -99.193
flat angles C4'-P-C4' energy: -108.040
flat angles P-C4'-P energy: -80.605
tors. eta vs tors. theta energy: -150.289
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: 210
Temperature: 1.000000
Total energy: -1891.668857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.668857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.668857 (E_RNA)
where:
Base-Base interactions energy: -1347.242
where: short stacking energy: -551.253
Base-Backbone interact. energy: -1.130
local terms energy: -543.296652
where:
bonds (distance) C4'-P energy: -89.912
bonds (distance) P-C4' energy: -100.037
flat angles C4'-P-C4' energy: -109.673
flat angles P-C4'-P energy: -86.963
tors. eta vs tors. theta energy: -156.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -1695.545644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.545644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.545644 (E_RNA)
where:
Base-Base interactions energy: -1220.512
where: short stacking energy: -482.159
Base-Backbone interact. energy: -3.766
local terms energy: -471.267068
where:
bonds (distance) C4'-P energy: -88.145
bonds (distance) P-C4' energy: -88.172
flat angles C4'-P-C4' energy: -96.146
flat angles P-C4'-P energy: -75.783
tors. eta vs tors. theta energy: -123.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -1645.441601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.441601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.441601 (E_RNA)
where:
Base-Base interactions energy: -1171.785
where: short stacking energy: -463.410
Base-Backbone interact. energy: 0.817
local terms energy: -474.473372
where:
bonds (distance) C4'-P energy: -100.663
bonds (distance) P-C4' energy: -84.083
flat angles C4'-P-C4' energy: -106.952
flat angles P-C4'-P energy: -61.342
tors. eta vs tors. theta energy: -121.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -1434.719917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.719917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.719917 (E_RNA)
where:
Base-Base interactions energy: -989.903
where: short stacking energy: -398.665
Base-Backbone interact. energy: -1.621
local terms energy: -443.196037
where:
bonds (distance) C4'-P energy: -95.567
bonds (distance) P-C4' energy: -87.058
flat angles C4'-P-C4' energy: -97.827
flat angles P-C4'-P energy: -66.921
tors. eta vs tors. theta energy: -95.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -1348.767016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.767016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.767016 (E_RNA)
where:
Base-Base interactions energy: -935.061
where: short stacking energy: -393.452
Base-Backbone interact. energy: -1.963
local terms energy: -411.743055
where:
bonds (distance) C4'-P energy: -75.173
bonds (distance) P-C4' energy: -72.175
flat angles C4'-P-C4' energy: -102.437
flat angles P-C4'-P energy: -64.380
tors. eta vs tors. theta energy: -97.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -1345.123898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.123898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.123898 (E_RNA)
where:
Base-Base interactions energy: -930.699
where: short stacking energy: -404.335
Base-Backbone interact. energy: 0.863
local terms energy: -415.287164
where:
bonds (distance) C4'-P energy: -85.630
bonds (distance) P-C4' energy: -101.391
flat angles C4'-P-C4' energy: -96.736
flat angles P-C4'-P energy: -46.557
tors. eta vs tors. theta energy: -84.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -1045.991206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.991206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.991206 (E_RNA)
where:
Base-Base interactions energy: -696.876
where: short stacking energy: -307.744
Base-Backbone interact. energy: -0.044
local terms energy: -349.071088
where:
bonds (distance) C4'-P energy: -85.294
bonds (distance) P-C4' energy: -84.742
flat angles C4'-P-C4' energy: -78.158
flat angles P-C4'-P energy: -48.198
tors. eta vs tors. theta energy: -52.678
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: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -852.415008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.415008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.415008 (E_RNA)
where:
Base-Base interactions energy: -525.373
where: short stacking energy: -233.708
Base-Backbone interact. energy: -2.541
local terms energy: -324.501423
where:
bonds (distance) C4'-P energy: -80.759
bonds (distance) P-C4' energy: -77.120
flat angles C4'-P-C4' energy: -89.650
flat angles P-C4'-P energy: -44.065
tors. eta vs tors. theta energy: -32.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -1902.148128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.148128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.148128 (E_RNA)
where:
Base-Base interactions energy: -1339.002
where: short stacking energy: -560.379
Base-Backbone interact. energy: -2.222
local terms energy: -560.924395
where:
bonds (distance) C4'-P energy: -108.446
bonds (distance) P-C4' energy: -102.489
flat angles C4'-P-C4' energy: -111.139
flat angles P-C4'-P energy: -88.321
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: 2, replica: 1
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -1881.778452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.778452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.778452 (E_RNA)
where:
Base-Base interactions energy: -1339.546
where: short stacking energy: -563.430
Base-Backbone interact. energy: -1.207
local terms energy: -541.025718
where:
bonds (distance) C4'-P energy: -102.251
bonds (distance) P-C4' energy: -88.228
flat angles C4'-P-C4' energy: -109.470
flat angles P-C4'-P energy: -88.447
tors. eta vs tors. theta energy: -152.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -1872.083981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.083981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.083981 (E_RNA)
where:
Base-Base interactions energy: -1340.939
where: short stacking energy: -540.839
Base-Backbone interact. energy: -2.390
local terms energy: -528.755095
where:
bonds (distance) C4'-P energy: -100.830
bonds (distance) P-C4' energy: -93.082
flat angles C4'-P-C4' energy: -105.960
flat angles P-C4'-P energy: -75.838
tors. eta vs tors. theta energy: -153.046
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: 4, replica: 3
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -1699.419457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.419457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.419457 (E_RNA)
where:
Base-Base interactions energy: -1183.524
where: short stacking energy: -500.962
Base-Backbone interact. energy: -2.014
local terms energy: -513.881193
where:
bonds (distance) C4'-P energy: -93.869
bonds (distance) P-C4' energy: -93.797
flat angles C4'-P-C4' energy: -110.153
flat angles P-C4'-P energy: -73.274
tors. eta vs tors. theta energy: -142.788
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: 8
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -1680.294050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1680.294050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1680.294050 (E_RNA)
where:
Base-Base interactions energy: -1202.856
where: short stacking energy: -482.576
Base-Backbone interact. energy: -0.697
local terms energy: -476.740886
where:
bonds (distance) C4'-P energy: -93.700
bonds (distance) P-C4' energy: -80.137
flat angles C4'-P-C4' energy: -111.475
flat angles P-C4'-P energy: -68.809
tors. eta vs tors. theta energy: -122.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -1440.589462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.589462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.589462 (E_RNA)
where:
Base-Base interactions energy: -1005.438
where: short stacking energy: -414.923
Base-Backbone interact. energy: 1.627
local terms energy: -436.778401
where:
bonds (distance) C4'-P energy: -92.107
bonds (distance) P-C4' energy: -77.301
flat angles C4'-P-C4' energy: -102.030
flat angles P-C4'-P energy: -51.637
tors. eta vs tors. theta energy: -113.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -1302.182258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.182258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.182258 (E_RNA)
where:
Base-Base interactions energy: -899.449
where: short stacking energy: -402.758
Base-Backbone interact. energy: -0.891
local terms energy: -401.842229
where:
bonds (distance) C4'-P energy: -93.498
bonds (distance) P-C4' energy: -87.062
flat angles C4'-P-C4' energy: -87.339
flat angles P-C4'-P energy: -50.477
tors. eta vs tors. theta energy: -83.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -1341.290044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.290044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.290044 (E_RNA)
where:
Base-Base interactions energy: -952.136
where: short stacking energy: -358.181
Base-Backbone interact. energy: -0.100
local terms energy: -389.053954
where:
bonds (distance) C4'-P energy: -82.400
bonds (distance) P-C4' energy: -87.311
flat angles C4'-P-C4' energy: -96.522
flat angles P-C4'-P energy: -38.031
tors. eta vs tors. theta energy: -84.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -1066.427649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.427649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.427649 (E_RNA)
where:
Base-Base interactions energy: -687.908
where: short stacking energy: -302.941
Base-Backbone interact. energy: -0.420
local terms energy: -378.099826
where:
bonds (distance) C4'-P energy: -70.160
bonds (distance) P-C4' energy: -85.766
flat angles C4'-P-C4' energy: -95.200
flat angles P-C4'-P energy: -71.072
tors. eta vs tors. theta energy: -55.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -833.412619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.412619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.412619 (E_RNA)
where:
Base-Base interactions energy: -497.236
where: short stacking energy: -233.617
Base-Backbone interact. energy: 1.852
local terms energy: -338.028442
where:
bonds (distance) C4'-P energy: -90.237
bonds (distance) P-C4' energy: -79.307
flat angles C4'-P-C4' energy: -85.544
flat angles P-C4'-P energy: -44.808
tors. eta vs tors. theta energy: -38.133
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: 212
Temperature: 0.900000
Total energy: -1914.022099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.022099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.022099 (E_RNA)
where:
Base-Base interactions energy: -1361.381
where: short stacking energy: -559.708
Base-Backbone interact. energy: -0.653
local terms energy: -551.988372
where:
bonds (distance) C4'-P energy: -88.379
bonds (distance) P-C4' energy: -111.237
flat angles C4'-P-C4' energy: -119.708
flat angles P-C4'-P energy: -85.463
tors. eta vs tors. theta energy: -147.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -1850.658040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.658040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.658040 (E_RNA)
where:
Base-Base interactions energy: -1316.351
where: short stacking energy: -547.471
Base-Backbone interact. energy: -2.326
local terms energy: -531.981142
where:
bonds (distance) C4'-P energy: -104.133
bonds (distance) P-C4' energy: -97.622
flat angles C4'-P-C4' energy: -109.572
flat angles P-C4'-P energy: -79.281
tors. eta vs tors. theta energy: -141.372
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: 3, replica: 4
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -1887.393057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.393057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.393057 (E_RNA)
where:
Base-Base interactions energy: -1370.148
where: short stacking energy: -555.250
Base-Backbone interact. energy: -3.870
local terms energy: -513.374445
where:
bonds (distance) C4'-P energy: -96.613
bonds (distance) P-C4' energy: -81.162
flat angles C4'-P-C4' energy: -109.898
flat angles P-C4'-P energy: -82.923
tors. eta vs tors. theta energy: -142.778
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: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -1714.403666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.403666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.403666 (E_RNA)
where:
Base-Base interactions energy: -1205.254
where: short stacking energy: -501.511
Base-Backbone interact. energy: -3.623
local terms energy: -505.526856
where:
bonds (distance) C4'-P energy: -85.877
bonds (distance) P-C4' energy: -100.127
flat angles C4'-P-C4' energy: -100.786
flat angles P-C4'-P energy: -76.648
tors. eta vs tors. theta energy: -142.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -1644.855167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.855167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.855167 (E_RNA)
where:
Base-Base interactions energy: -1164.734
where: short stacking energy: -497.484
Base-Backbone interact. energy: 1.188
local terms energy: -481.308852
where:
bonds (distance) C4'-P energy: -80.138
bonds (distance) P-C4' energy: -87.011
flat angles C4'-P-C4' energy: -109.886
flat angles P-C4'-P energy: -70.699
tors. eta vs tors. theta energy: -133.574
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: 6, replica: 9
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -1395.968257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1395.968257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1395.968257 (E_RNA)
where:
Base-Base interactions energy: -959.682
where: short stacking energy: -397.961
Base-Backbone interact. energy: 0.829
local terms energy: -437.114587
where:
bonds (distance) C4'-P energy: -93.792
bonds (distance) P-C4' energy: -94.154
flat angles C4'-P-C4' energy: -90.410
flat angles P-C4'-P energy: -64.476
tors. eta vs tors. theta energy: -94.282
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: 212
Temperature: 1.200000
Total energy: -1386.877889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.877889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.877889 (E_RNA)
where:
Base-Base interactions energy: -983.286
where: short stacking energy: -416.163
Base-Backbone interact. energy: 1.432
local terms energy: -405.023764
where:
bonds (distance) C4'-P energy: -73.761
bonds (distance) P-C4' energy: -84.758
flat angles C4'-P-C4' energy: -95.372
flat angles P-C4'-P energy: -57.202
tors. eta vs tors. theta energy: -93.930
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: 5
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -1259.741583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.741583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.741583 (E_RNA)
where:
Base-Base interactions energy: -859.393
where: short stacking energy: -333.745
Base-Backbone interact. energy: -1.352
local terms energy: -398.996125
where:
bonds (distance) C4'-P energy: -94.380
bonds (distance) P-C4' energy: -87.604
flat angles C4'-P-C4' energy: -97.296
flat angles P-C4'-P energy: -50.548
tors. eta vs tors. theta energy: -69.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -1077.322063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1077.322063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1077.322063 (E_RNA)
where:
Base-Base interactions energy: -726.121
where: short stacking energy: -306.574
Base-Backbone interact. energy: 5.650
local terms energy: -356.850820
where:
bonds (distance) C4'-P energy: -92.846
bonds (distance) P-C4' energy: -86.927
flat angles C4'-P-C4' energy: -76.496
flat angles P-C4'-P energy: -41.119
tors. eta vs tors. theta energy: -59.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -844.762790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.762790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.762790 (E_RNA)
where:
Base-Base interactions energy: -516.442
where: short stacking energy: -232.724
Base-Backbone interact. energy: 2.904
local terms energy: -331.224032
where:
bonds (distance) C4'-P energy: -78.353
bonds (distance) P-C4' energy: -73.476
flat angles C4'-P-C4' energy: -98.131
flat angles P-C4'-P energy: -42.255
tors. eta vs tors. theta energy: -39.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -1956.805825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.805825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.805825 (E_RNA)
where:
Base-Base interactions energy: -1392.817
where: short stacking energy: -555.922
Base-Backbone interact. energy: 13.311
local terms energy: -577.299724
where:
bonds (distance) C4'-P energy: -112.887
bonds (distance) P-C4' energy: -100.898
flat angles C4'-P-C4' energy: -120.495
flat angles P-C4'-P energy: -83.706
tors. eta vs tors. theta energy: -159.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -1850.545124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.545124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.545124 (E_RNA)
where:
Base-Base interactions energy: -1316.430
where: short stacking energy: -538.188
Base-Backbone interact. energy: -5.309
local terms energy: -528.806477
where:
bonds (distance) C4'-P energy: -90.339
bonds (distance) P-C4' energy: -102.065
flat angles C4'-P-C4' energy: -116.838
flat angles P-C4'-P energy: -76.956
tors. eta vs tors. theta energy: -142.609
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: 3, replica: 4
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -1830.194800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.194800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.194800 (E_RNA)
where:
Base-Base interactions energy: -1292.033
where: short stacking energy: -549.064
Base-Backbone interact. energy: -3.797
local terms energy: -534.364063
where:
bonds (distance) C4'-P energy: -94.066
bonds (distance) P-C4' energy: -88.506
flat angles C4'-P-C4' energy: -113.319
flat angles P-C4'-P energy: -85.895
tors. eta vs tors. theta energy: -152.579
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: 213
Temperature: 1.050000
Total energy: -1664.290171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.290171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.290171 (E_RNA)
where:
Base-Base interactions energy: -1189.928
where: short stacking energy: -494.812
Base-Backbone interact. energy: -1.914
local terms energy: -472.448629
where:
bonds (distance) C4'-P energy: -81.881
bonds (distance) P-C4' energy: -85.326
flat angles C4'-P-C4' energy: -103.020
flat angles P-C4'-P energy: -74.402
tors. eta vs tors. theta energy: -127.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -1723.510559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.510559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.510559 (E_RNA)
where:
Base-Base interactions energy: -1228.231
where: short stacking energy: -500.372
Base-Backbone interact. energy: -3.112
local terms energy: -492.168299
where:
bonds (distance) C4'-P energy: -84.461
bonds (distance) P-C4' energy: -83.054
flat angles C4'-P-C4' energy: -119.997
flat angles P-C4'-P energy: -68.288
tors. eta vs tors. theta energy: -136.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -1426.498494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.498494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.498494 (E_RNA)
where:
Base-Base interactions energy: -982.137
where: short stacking energy: -416.247
Base-Backbone interact. energy: -1.322
local terms energy: -443.040211
where:
bonds (distance) C4'-P energy: -84.587
bonds (distance) P-C4' energy: -92.222
flat angles C4'-P-C4' energy: -97.635
flat angles P-C4'-P energy: -78.290
tors. eta vs tors. theta energy: -90.306
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: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -1361.564203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.564203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.564203 (E_RNA)
where:
Base-Base interactions energy: -924.726
where: short stacking energy: -380.945
Base-Backbone interact. energy: -0.177
local terms energy: -436.661216
where:
bonds (distance) C4'-P energy: -85.280
bonds (distance) P-C4' energy: -78.450
flat angles C4'-P-C4' energy: -101.175
flat angles P-C4'-P energy: -63.645
tors. eta vs tors. theta energy: -108.111
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: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -1313.561298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.561298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.561298 (E_RNA)
where:
Base-Base interactions energy: -903.110
where: short stacking energy: -375.114
Base-Backbone interact. energy: -0.575
local terms energy: -409.876869
where:
bonds (distance) C4'-P energy: -90.716
bonds (distance) P-C4' energy: -80.324
flat angles C4'-P-C4' energy: -94.173
flat angles P-C4'-P energy: -59.375
tors. eta vs tors. theta energy: -85.288
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: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -1093.468423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1093.468423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1093.468423 (E_RNA)
where:
Base-Base interactions energy: -731.902
where: short stacking energy: -324.370
Base-Backbone interact. energy: 0.096
local terms energy: -361.663136
where:
bonds (distance) C4'-P energy: -78.853
bonds (distance) P-C4' energy: -88.315
flat angles C4'-P-C4' energy: -81.365
flat angles P-C4'-P energy: -55.485
tors. eta vs tors. theta energy: -57.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -753.494015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.494015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.494015 (E_RNA)
where:
Base-Base interactions energy: -429.472
where: short stacking energy: -207.497
Base-Backbone interact. energy: -0.511
local terms energy: -323.510970
where:
bonds (distance) C4'-P energy: -70.902
bonds (distance) P-C4' energy: -90.545
flat angles C4'-P-C4' energy: -85.761
flat angles P-C4'-P energy: -59.436
tors. eta vs tors. theta energy: -16.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -1939.092537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.092537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.092537 (E_RNA)
where:
Base-Base interactions energy: -1359.566
where: short stacking energy: -568.061
Base-Backbone interact. energy: -2.552
local terms energy: -576.974601
where:
bonds (distance) C4'-P energy: -105.092
bonds (distance) P-C4' energy: -99.191
flat angles C4'-P-C4' energy: -127.512
flat angles P-C4'-P energy: -91.259
tors. eta vs tors. theta energy: -153.920
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: 1
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -1869.919710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.919710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.919710 (E_RNA)
where:
Base-Base interactions energy: -1321.733
where: short stacking energy: -548.222
Base-Backbone interact. energy: -1.002
local terms energy: -547.185046
where:
bonds (distance) C4'-P energy: -96.361
bonds (distance) P-C4' energy: -99.348
flat angles C4'-P-C4' energy: -124.317
flat angles P-C4'-P energy: -76.056
tors. eta vs tors. theta energy: -151.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -1844.980417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1844.980417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1844.980417 (E_RNA)
where:
Base-Base interactions energy: -1301.289
where: short stacking energy: -550.882
Base-Backbone interact. energy: -0.561
local terms energy: -543.130207
where:
bonds (distance) C4'-P energy: -96.711
bonds (distance) P-C4' energy: -98.548
flat angles C4'-P-C4' energy: -119.865
flat angles P-C4'-P energy: -75.706
tors. eta vs tors. theta energy: -152.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -1674.051228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.051228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.051228 (E_RNA)
where:
Base-Base interactions energy: -1196.405
where: short stacking energy: -495.206
Base-Backbone interact. energy: 1.351
local terms energy: -478.996899
where:
bonds (distance) C4'-P energy: -87.239
bonds (distance) P-C4' energy: -98.159
flat angles C4'-P-C4' energy: -101.002
flat angles P-C4'-P energy: -65.368
tors. eta vs tors. theta energy: -127.228
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: 8
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -1684.957380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.957380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.957380 (E_RNA)
where:
Base-Base interactions energy: -1204.292
where: short stacking energy: -477.488
Base-Backbone interact. energy: -2.223
local terms energy: -478.442413
where:
bonds (distance) C4'-P energy: -86.206
bonds (distance) P-C4' energy: -107.197
flat angles C4'-P-C4' energy: -103.129
flat angles P-C4'-P energy: -70.644
tors. eta vs tors. theta energy: -111.267
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: 7
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -1392.000172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.000172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.000172 (E_RNA)
where:
Base-Base interactions energy: -971.912
where: short stacking energy: -417.312
Base-Backbone interact. energy: 5.873
local terms energy: -425.961460
where:
bonds (distance) C4'-P energy: -88.549
bonds (distance) P-C4' energy: -88.646
flat angles C4'-P-C4' energy: -90.420
flat angles P-C4'-P energy: -54.472
tors. eta vs tors. theta energy: -103.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -1360.778190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.778190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.778190 (E_RNA)
where:
Base-Base interactions energy: -949.569
where: short stacking energy: -410.923
Base-Backbone interact. energy: -0.769
local terms energy: -410.440046
where:
bonds (distance) C4'-P energy: -78.657
bonds (distance) P-C4' energy: -70.583
flat angles C4'-P-C4' energy: -90.453
flat angles P-C4'-P energy: -57.936
tors. eta vs tors. theta energy: -112.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -1283.492352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.492352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.492352 (E_RNA)
where:
Base-Base interactions energy: -891.673
where: short stacking energy: -357.244
Base-Backbone interact. energy: -1.341
local terms energy: -390.478843
where:
bonds (distance) C4'-P energy: -83.362
bonds (distance) P-C4' energy: -89.747
flat angles C4'-P-C4' energy: -97.957
flat angles P-C4'-P energy: -54.824
tors. eta vs tors. theta energy: -64.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -1084.956270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.956270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.956270 (E_RNA)
where:
Base-Base interactions energy: -740.253
where: short stacking energy: -323.916
Base-Backbone interact. energy: -1.451
local terms energy: -343.252130
where:
bonds (distance) C4'-P energy: -58.060
bonds (distance) P-C4' energy: -80.707
flat angles C4'-P-C4' energy: -91.162
flat angles P-C4'-P energy: -44.078
tors. eta vs tors. theta energy: -69.246
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: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -908.085920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.085920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.085920 (E_RNA)
where:
Base-Base interactions energy: -579.875
where: short stacking energy: -246.350
Base-Backbone interact. energy: -2.774
local terms energy: -325.436431
where:
bonds (distance) C4'-P energy: -79.118
bonds (distance) P-C4' energy: -75.778
flat angles C4'-P-C4' energy: -90.522
flat angles P-C4'-P energy: -49.451
tors. eta vs tors. theta energy: -30.567
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: 215
Temperature: 0.900000
Total energy: -1946.925283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.925283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.925283 (E_RNA)
where:
Base-Base interactions energy: -1395.617
where: short stacking energy: -541.473
Base-Backbone interact. energy: -2.439
local terms energy: -548.869051
where:
bonds (distance) C4'-P energy: -100.060
bonds (distance) P-C4' energy: -101.288
flat angles C4'-P-C4' energy: -114.659
flat angles P-C4'-P energy: -81.941
tors. eta vs tors. theta energy: -150.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -1894.996975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.996975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.996975 (E_RNA)
where:
Base-Base interactions energy: -1354.693
where: short stacking energy: -565.523
Base-Backbone interact. energy: -3.732
local terms energy: -536.572021
where:
bonds (distance) C4'-P energy: -99.432
bonds (distance) P-C4' energy: -100.128
flat angles C4'-P-C4' energy: -107.954
flat angles P-C4'-P energy: -72.332
tors. eta vs tors. theta energy: -156.726
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: 215
Temperature: 1.000000
Total energy: -1852.831438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.831438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.831438 (E_RNA)
where:
Base-Base interactions energy: -1331.399
where: short stacking energy: -536.204
Base-Backbone interact. energy: 4.916
local terms energy: -526.348525
where:
bonds (distance) C4'-P energy: -90.010
bonds (distance) P-C4' energy: -93.744
flat angles C4'-P-C4' energy: -119.463
flat angles P-C4'-P energy: -72.876
tors. eta vs tors. theta energy: -150.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -1699.729030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.729030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.729030 (E_RNA)
where:
Base-Base interactions energy: -1193.002
where: short stacking energy: -506.717
Base-Backbone interact. energy: -2.421
local terms energy: -504.306213
where:
bonds (distance) C4'-P energy: -90.345
bonds (distance) P-C4' energy: -92.290
flat angles C4'-P-C4' energy: -107.107
flat angles P-C4'-P energy: -79.391
tors. eta vs tors. theta energy: -135.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -1654.051028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.051028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.051028 (E_RNA)
where:
Base-Base interactions energy: -1170.078
where: short stacking energy: -445.985
Base-Backbone interact. energy: -1.719
local terms energy: -482.254065
where:
bonds (distance) C4'-P energy: -85.535
bonds (distance) P-C4' energy: -110.061
flat angles C4'-P-C4' energy: -105.444
flat angles P-C4'-P energy: -63.678
tors. eta vs tors. theta energy: -117.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -1430.057446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.057446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.057446 (E_RNA)
where:
Base-Base interactions energy: -970.075
where: short stacking energy: -401.258
Base-Backbone interact. energy: -0.903
local terms energy: -459.079873
where:
bonds (distance) C4'-P energy: -96.607
bonds (distance) P-C4' energy: -98.875
flat angles C4'-P-C4' energy: -103.770
flat angles P-C4'-P energy: -59.568
tors. eta vs tors. theta energy: -100.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -1345.797888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1345.797888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1345.797888 (E_RNA)
where:
Base-Base interactions energy: -923.735
where: short stacking energy: -390.051
Base-Backbone interact. energy: 2.187
local terms energy: -424.250692
where:
bonds (distance) C4'-P energy: -91.413
bonds (distance) P-C4' energy: -87.923
flat angles C4'-P-C4' energy: -95.002
flat angles P-C4'-P energy: -57.617
tors. eta vs tors. theta energy: -92.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -1265.748892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.748892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.748892 (E_RNA)
where:
Base-Base interactions energy: -856.856
where: short stacking energy: -368.596
Base-Backbone interact. energy: -2.575
local terms energy: -406.317979
where:
bonds (distance) C4'-P energy: -79.676
bonds (distance) P-C4' energy: -97.649
flat angles C4'-P-C4' energy: -90.387
flat angles P-C4'-P energy: -62.779
tors. eta vs tors. theta energy: -75.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -1023.985368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.985368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.985368 (E_RNA)
where:
Base-Base interactions energy: -673.367
where: short stacking energy: -297.336
Base-Backbone interact. energy: 2.644
local terms energy: -353.262408
where:
bonds (distance) C4'-P energy: -68.332
bonds (distance) P-C4' energy: -82.395
flat angles C4'-P-C4' energy: -95.857
flat angles P-C4'-P energy: -57.846
tors. eta vs tors. theta energy: -48.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -924.844525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.844525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.844525 (E_RNA)
where:
Base-Base interactions energy: -584.035
where: short stacking energy: -265.250
Base-Backbone interact. energy: -1.988
local terms energy: -338.820899
where:
bonds (distance) C4'-P energy: -68.959
bonds (distance) P-C4' energy: -94.040
flat angles C4'-P-C4' energy: -80.856
flat angles P-C4'-P energy: -42.983
tors. eta vs tors. theta energy: -51.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -1951.448232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.448232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.448232 (E_RNA)
where:
Base-Base interactions energy: -1383.453
where: short stacking energy: -547.223
Base-Backbone interact. energy: -0.725
local terms energy: -567.269756
where:
bonds (distance) C4'-P energy: -96.820
bonds (distance) P-C4' energy: -106.320
flat angles C4'-P-C4' energy: -128.521
flat angles P-C4'-P energy: -80.720
tors. eta vs tors. theta energy: -154.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -1889.800018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.800018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.800018 (E_RNA)
where:
Base-Base interactions energy: -1320.552
where: short stacking energy: -560.707
Base-Backbone interact. energy: -0.662
local terms energy: -568.585404
where:
bonds (distance) C4'-P energy: -102.791
bonds (distance) P-C4' energy: -103.611
flat angles C4'-P-C4' energy: -121.351
flat angles P-C4'-P energy: -85.873
tors. eta vs tors. theta energy: -154.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -1817.683088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.683088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.683088 (E_RNA)
where:
Base-Base interactions energy: -1281.976
where: short stacking energy: -522.700
Base-Backbone interact. energy: -0.334
local terms energy: -535.372939
where:
bonds (distance) C4'-P energy: -108.411
bonds (distance) P-C4' energy: -88.642
flat angles C4'-P-C4' energy: -119.765
flat angles P-C4'-P energy: -76.304
tors. eta vs tors. theta energy: -142.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -1698.547824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.547824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.547824 (E_RNA)
where:
Base-Base interactions energy: -1193.062
where: short stacking energy: -489.090
Base-Backbone interact. energy: 2.202
local terms energy: -507.687617
where:
bonds (distance) C4'-P energy: -87.439
bonds (distance) P-C4' energy: -95.428
flat angles C4'-P-C4' energy: -115.248
flat angles P-C4'-P energy: -67.939
tors. eta vs tors. theta energy: -141.634
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: 8
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -1669.803397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.803397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.803397 (E_RNA)
where:
Base-Base interactions energy: -1199.576
where: short stacking energy: -501.318
Base-Backbone interact. energy: -3.211
local terms energy: -467.016765
where:
bonds (distance) C4'-P energy: -78.257
bonds (distance) P-C4' energy: -100.836
flat angles C4'-P-C4' energy: -95.773
flat angles P-C4'-P energy: -66.137
tors. eta vs tors. theta energy: -126.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -1402.346567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.346567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.346567 (E_RNA)
where:
Base-Base interactions energy: -941.645
where: short stacking energy: -417.165
Base-Backbone interact. energy: -0.058
local terms energy: -460.644204
where:
bonds (distance) C4'-P energy: -106.582
bonds (distance) P-C4' energy: -96.418
flat angles C4'-P-C4' energy: -95.583
flat angles P-C4'-P energy: -60.721
tors. eta vs tors. theta energy: -101.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -1408.308764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.308764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.308764 (E_RNA)
where:
Base-Base interactions energy: -947.310
where: short stacking energy: -425.606
Base-Backbone interact. energy: -0.173
local terms energy: -460.825626
where:
bonds (distance) C4'-P energy: -93.291
bonds (distance) P-C4' energy: -80.139
flat angles C4'-P-C4' energy: -117.726
flat angles P-C4'-P energy: -51.342
tors. eta vs tors. theta energy: -118.328
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: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -1258.506583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.506583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.506583 (E_RNA)
where:
Base-Base interactions energy: -881.829
where: short stacking energy: -355.245
Base-Backbone interact. energy: -3.102
local terms energy: -373.576116
where:
bonds (distance) C4'-P energy: -70.399
bonds (distance) P-C4' energy: -85.151
flat angles C4'-P-C4' energy: -92.417
flat angles P-C4'-P energy: -49.448
tors. eta vs tors. theta energy: -76.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -1121.161062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.161062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.161062 (E_RNA)
where:
Base-Base interactions energy: -752.075
where: short stacking energy: -311.701
Base-Backbone interact. energy: 0.231
local terms energy: -369.316992
where:
bonds (distance) C4'-P energy: -74.709
bonds (distance) P-C4' energy: -84.699
flat angles C4'-P-C4' energy: -87.729
flat angles P-C4'-P energy: -62.837
tors. eta vs tors. theta energy: -59.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -958.576403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.576403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.576403 (E_RNA)
where:
Base-Base interactions energy: -614.741
where: short stacking energy: -263.913
Base-Backbone interact. energy: -1.444
local terms energy: -342.391607
where:
bonds (distance) C4'-P energy: -87.125
bonds (distance) P-C4' energy: -80.190
flat angles C4'-P-C4' energy: -91.921
flat angles P-C4'-P energy: -47.058
tors. eta vs tors. theta energy: -36.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -1939.329960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.329960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.329960 (E_RNA)
where:
Base-Base interactions energy: -1380.885
where: short stacking energy: -541.834
Base-Backbone interact. energy: -2.005
local terms energy: -556.440475
where:
bonds (distance) C4'-P energy: -98.968
bonds (distance) P-C4' energy: -107.103
flat angles C4'-P-C4' energy: -117.673
flat angles P-C4'-P energy: -82.526
tors. eta vs tors. theta energy: -150.171
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: 217
Temperature: 0.950000
Total energy: -1876.267255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.267255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.267255 (E_RNA)
where:
Base-Base interactions energy: -1344.345
where: short stacking energy: -552.847
Base-Backbone interact. energy: -0.172
local terms energy: -531.749815
where:
bonds (distance) C4'-P energy: -97.849
bonds (distance) P-C4' energy: -93.183
flat angles C4'-P-C4' energy: -112.409
flat angles P-C4'-P energy: -74.436
tors. eta vs tors. theta energy: -153.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -1811.876901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.876901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.876901 (E_RNA)
where:
Base-Base interactions energy: -1275.663
where: short stacking energy: -523.642
Base-Backbone interact. energy: -0.904
local terms energy: -535.310179
where:
bonds (distance) C4'-P energy: -111.701
bonds (distance) P-C4' energy: -88.712
flat angles C4'-P-C4' energy: -111.370
flat angles P-C4'-P energy: -77.992
tors. eta vs tors. theta energy: -145.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -1712.277467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.277467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.277467 (E_RNA)
where:
Base-Base interactions energy: -1205.216
where: short stacking energy: -503.828
Base-Backbone interact. energy: -1.469
local terms energy: -505.592092
where:
bonds (distance) C4'-P energy: -89.125
bonds (distance) P-C4' energy: -96.037
flat angles C4'-P-C4' energy: -105.033
flat angles P-C4'-P energy: -79.813
tors. eta vs tors. theta energy: -135.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -1670.692950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.692950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.692950 (E_RNA)
where:
Base-Base interactions energy: -1166.988
where: short stacking energy: -479.445
Base-Backbone interact. energy: -3.460
local terms energy: -500.244617
where:
bonds (distance) C4'-P energy: -79.234
bonds (distance) P-C4' energy: -104.220
flat angles C4'-P-C4' energy: -110.705
flat angles P-C4'-P energy: -77.692
tors. eta vs tors. theta energy: -128.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -1406.782997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.782997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.782997 (E_RNA)
where:
Base-Base interactions energy: -975.405
where: short stacking energy: -417.448
Base-Backbone interact. energy: -0.482
local terms energy: -430.895816
where:
bonds (distance) C4'-P energy: -76.195
bonds (distance) P-C4' energy: -96.307
flat angles C4'-P-C4' energy: -105.547
flat angles P-C4'-P energy: -54.095
tors. eta vs tors. theta energy: -98.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -1416.932894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.932894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.932894 (E_RNA)
where:
Base-Base interactions energy: -984.561
where: short stacking energy: -426.610
Base-Backbone interact. energy: -0.165
local terms energy: -432.206694
where:
bonds (distance) C4'-P energy: -83.051
bonds (distance) P-C4' energy: -68.412
flat angles C4'-P-C4' energy: -100.920
flat angles P-C4'-P energy: -64.704
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: 5
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -1271.451712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.451712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.451712 (E_RNA)
where:
Base-Base interactions energy: -880.619
where: short stacking energy: -373.026
Base-Backbone interact. energy: -4.008
local terms energy: -386.824938
where:
bonds (distance) C4'-P energy: -80.689
bonds (distance) P-C4' energy: -93.195
flat angles C4'-P-C4' energy: -85.965
flat angles P-C4'-P energy: -49.726
tors. eta vs tors. theta energy: -77.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -1053.920934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1053.920934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1053.920934 (E_RNA)
where:
Base-Base interactions energy: -691.350
where: short stacking energy: -311.765
Base-Backbone interact. energy: -2.048
local terms energy: -360.522036
where:
bonds (distance) C4'-P energy: -71.588
bonds (distance) P-C4' energy: -91.235
flat angles C4'-P-C4' energy: -90.926
flat angles P-C4'-P energy: -55.227
tors. eta vs tors. theta energy: -51.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -931.227072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -931.227072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -931.227072 (E_RNA)
where:
Base-Base interactions energy: -585.092
where: short stacking energy: -254.768
Base-Backbone interact. energy: 0.177
local terms energy: -346.311522
where:
bonds (distance) C4'-P energy: -94.229
bonds (distance) P-C4' energy: -89.813
flat angles C4'-P-C4' energy: -73.129
flat angles P-C4'-P energy: -49.510
tors. eta vs tors. theta energy: -39.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -1924.386958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.386958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.386958 (E_RNA)
where:
Base-Base interactions energy: -1353.340
where: short stacking energy: -558.916
Base-Backbone interact. energy: -0.566
local terms energy: -570.481366
where:
bonds (distance) C4'-P energy: -102.470
bonds (distance) P-C4' energy: -89.089
flat angles C4'-P-C4' energy: -123.115
flat angles P-C4'-P energy: -95.946
tors. eta vs tors. theta energy: -159.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -1903.810927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.810927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.810927 (E_RNA)
where:
Base-Base interactions energy: -1355.157
where: short stacking energy: -551.106
Base-Backbone interact. energy: -1.481
local terms energy: -547.173326
where:
bonds (distance) C4'-P energy: -97.813
bonds (distance) P-C4' energy: -105.256
flat angles C4'-P-C4' energy: -103.626
flat angles P-C4'-P energy: -87.946
tors. eta vs tors. theta energy: -152.532
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: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -1841.266518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.266518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.266518 (E_RNA)
where:
Base-Base interactions energy: -1307.876
where: short stacking energy: -532.265
Base-Backbone interact. energy: -2.421
local terms energy: -530.969535
where:
bonds (distance) C4'-P energy: -94.245
bonds (distance) P-C4' energy: -104.115
flat angles C4'-P-C4' energy: -117.023
flat angles P-C4'-P energy: -65.460
tors. eta vs tors. theta energy: -150.126
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: 4, replica: 3
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -1707.695336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.695336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.695336 (E_RNA)
where:
Base-Base interactions energy: -1204.700
where: short stacking energy: -506.470
Base-Backbone interact. energy: -4.810
local terms energy: -498.185595
where:
bonds (distance) C4'-P energy: -78.700
bonds (distance) P-C4' energy: -102.493
flat angles C4'-P-C4' energy: -102.331
flat angles P-C4'-P energy: -63.562
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: 5, replica: 8
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -1676.991414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.991414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.991414 (E_RNA)
where:
Base-Base interactions energy: -1166.863
where: short stacking energy: -470.089
Base-Backbone interact. energy: 1.253
local terms energy: -511.381888
where:
bonds (distance) C4'-P energy: -93.308
bonds (distance) P-C4' energy: -101.572
flat angles C4'-P-C4' energy: -110.749
flat angles P-C4'-P energy: -75.143
tors. eta vs tors. theta energy: -130.611
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: 6, replica: 7
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -1391.341329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.341329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.341329 (E_RNA)
where:
Base-Base interactions energy: -958.837
where: short stacking energy: -406.921
Base-Backbone interact. energy: 0.755
local terms energy: -433.258893
where:
bonds (distance) C4'-P energy: -94.032
bonds (distance) P-C4' energy: -92.049
flat angles C4'-P-C4' energy: -89.401
flat angles P-C4'-P energy: -63.777
tors. eta vs tors. theta energy: -93.999
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: 9
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -1364.985618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.985618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.985618 (E_RNA)
where:
Base-Base interactions energy: -916.609
where: short stacking energy: -372.264
Base-Backbone interact. energy: -1.537
local terms energy: -446.840101
where:
bonds (distance) C4'-P energy: -99.519
bonds (distance) P-C4' energy: -105.596
flat angles C4'-P-C4' energy: -99.866
flat angles P-C4'-P energy: -50.671
tors. eta vs tors. theta energy: -91.188
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: 5
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -1229.798884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.798884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.798884 (E_RNA)
where:
Base-Base interactions energy: -858.837
where: short stacking energy: -356.138
Base-Backbone interact. energy: 0.114
local terms energy: -371.076481
where:
bonds (distance) C4'-P energy: -71.852
bonds (distance) P-C4' energy: -89.519
flat angles C4'-P-C4' energy: -86.894
flat angles P-C4'-P energy: -63.749
tors. eta vs tors. theta energy: -59.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -1054.855341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.855341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.855341 (E_RNA)
where:
Base-Base interactions energy: -676.390
where: short stacking energy: -275.289
Base-Backbone interact. energy: -0.245
local terms energy: -378.220646
where:
bonds (distance) C4'-P energy: -85.466
bonds (distance) P-C4' energy: -95.417
flat angles C4'-P-C4' energy: -96.820
flat angles P-C4'-P energy: -55.583
tors. eta vs tors. theta energy: -44.935
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: 10
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -884.241571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -884.241571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -884.241571 (E_RNA)
where:
Base-Base interactions energy: -563.027
where: short stacking energy: -271.685
Base-Backbone interact. energy: -1.821
local terms energy: -319.393852
where:
bonds (distance) C4'-P energy: -70.398
bonds (distance) P-C4' energy: -80.851
flat angles C4'-P-C4' energy: -77.068
flat angles P-C4'-P energy: -54.048
tors. eta vs tors. theta energy: -37.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -1912.734306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.734306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.734306 (E_RNA)
where:
Base-Base interactions energy: -1356.257
where: short stacking energy: -551.805
Base-Backbone interact. energy: -1.020
local terms energy: -555.457291
where:
bonds (distance) C4'-P energy: -96.676
bonds (distance) P-C4' energy: -102.410
flat angles C4'-P-C4' energy: -116.901
flat angles P-C4'-P energy: -83.702
tors. eta vs tors. theta energy: -155.769
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: 4
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -1905.596645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.596645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.596645 (E_RNA)
where:
Base-Base interactions energy: -1341.381
where: short stacking energy: -547.038
Base-Backbone interact. energy: -1.882
local terms energy: -562.334002
where:
bonds (distance) C4'-P energy: -104.302
bonds (distance) P-C4' energy: -106.372
flat angles C4'-P-C4' energy: -113.553
flat angles P-C4'-P energy: -80.925
tors. eta vs tors. theta energy: -157.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -1818.825282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.825282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.825282 (E_RNA)
where:
Base-Base interactions energy: -1271.198
where: short stacking energy: -518.373
Base-Backbone interact. energy: -1.479
local terms energy: -546.148198
where:
bonds (distance) C4'-P energy: -100.024
bonds (distance) P-C4' energy: -107.377
flat angles C4'-P-C4' energy: -113.242
flat angles P-C4'-P energy: -69.684
tors. eta vs tors. theta energy: -155.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -1715.491350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.491350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.491350 (E_RNA)
where:
Base-Base interactions energy: -1225.888
where: short stacking energy: -502.288
Base-Backbone interact. energy: 0.778
local terms energy: -490.382137
where:
bonds (distance) C4'-P energy: -83.653
bonds (distance) P-C4' energy: -91.475
flat angles C4'-P-C4' energy: -119.114
flat angles P-C4'-P energy: -62.833
tors. eta vs tors. theta energy: -133.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -1663.496987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.496987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.496987 (E_RNA)
where:
Base-Base interactions energy: -1185.059
where: short stacking energy: -496.129
Base-Backbone interact. energy: 0.062
local terms energy: -478.499201
where:
bonds (distance) C4'-P energy: -90.790
bonds (distance) P-C4' energy: -88.724
flat angles C4'-P-C4' energy: -101.952
flat angles P-C4'-P energy: -68.535
tors. eta vs tors. theta energy: -128.498
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: 9
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -1410.553635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.553635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.553635 (E_RNA)
where:
Base-Base interactions energy: -979.120
where: short stacking energy: -389.395
Base-Backbone interact. energy: -0.063
local terms energy: -431.370649
where:
bonds (distance) C4'-P energy: -97.364
bonds (distance) P-C4' energy: -93.242
flat angles C4'-P-C4' energy: -98.489
flat angles P-C4'-P energy: -58.839
tors. eta vs tors. theta energy: -83.436
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: 7
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -1317.343981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.343981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.343981 (E_RNA)
where:
Base-Base interactions energy: -872.122
where: short stacking energy: -379.399
Base-Backbone interact. energy: -1.855
local terms energy: -443.367152
where:
bonds (distance) C4'-P energy: -89.009
bonds (distance) P-C4' energy: -99.553
flat angles C4'-P-C4' energy: -87.232
flat angles P-C4'-P energy: -71.752
tors. eta vs tors. theta energy: -95.822
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: 5
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -1232.450714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.450714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.450714 (E_RNA)
where:
Base-Base interactions energy: -869.412
where: short stacking energy: -347.957
Base-Backbone interact. energy: 2.023
local terms energy: -365.061916
where:
bonds (distance) C4'-P energy: -97.094
bonds (distance) P-C4' energy: -71.907
flat angles C4'-P-C4' energy: -80.277
flat angles P-C4'-P energy: -50.117
tors. eta vs tors. theta energy: -65.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -1036.373714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.373714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.373714 (E_RNA)
where:
Base-Base interactions energy: -685.626
where: short stacking energy: -300.568
Base-Backbone interact. energy: 2.737
local terms energy: -353.485460
where:
bonds (distance) C4'-P energy: -72.284
bonds (distance) P-C4' energy: -84.550
flat angles C4'-P-C4' energy: -79.662
flat angles P-C4'-P energy: -51.299
tors. eta vs tors. theta energy: -65.691
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: 10
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -878.852632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -878.852632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -878.852632 (E_RNA)
where:
Base-Base interactions energy: -548.351
where: short stacking energy: -258.815
Base-Backbone interact. energy: 0.445
local terms energy: -330.947083
where:
bonds (distance) C4'-P energy: -85.289
bonds (distance) P-C4' energy: -79.571
flat angles C4'-P-C4' energy: -84.244
flat angles P-C4'-P energy: -49.204
tors. eta vs tors. theta energy: -32.639
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: 220
Temperature: 0.900000
Total energy: -1924.653909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.653909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.653909 (E_RNA)
where:
Base-Base interactions energy: -1356.720
where: short stacking energy: -560.138
Base-Backbone interact. energy: 3.557
local terms energy: -571.490888
where:
bonds (distance) C4'-P energy: -106.101
bonds (distance) P-C4' energy: -105.768
flat angles C4'-P-C4' energy: -123.833
flat angles P-C4'-P energy: -82.424
tors. eta vs tors. theta energy: -153.366
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: 4
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -1893.356166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.356166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.356166 (E_RNA)
where:
Base-Base interactions energy: -1345.594
where: short stacking energy: -549.959
Base-Backbone interact. energy: -0.096
local terms energy: -547.666351
where:
bonds (distance) C4'-P energy: -104.786
bonds (distance) P-C4' energy: -97.957
flat angles C4'-P-C4' energy: -114.700
flat angles P-C4'-P energy: -77.583
tors. eta vs tors. theta energy: -152.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -1798.924321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.924321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.924321 (E_RNA)
where:
Base-Base interactions energy: -1267.571
where: short stacking energy: -513.138
Base-Backbone interact. energy: -1.264
local terms energy: -530.089409
where:
bonds (distance) C4'-P energy: -97.938
bonds (distance) P-C4' energy: -104.842
flat angles C4'-P-C4' energy: -109.683
flat angles P-C4'-P energy: -71.006
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: 4, replica: 3
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -1693.382786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.382786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.382786 (E_RNA)
where:
Base-Base interactions energy: -1198.567
where: short stacking energy: -489.854
Base-Backbone interact. energy: -1.575
local terms energy: -493.240854
where:
bonds (distance) C4'-P energy: -85.780
bonds (distance) P-C4' energy: -96.363
flat angles C4'-P-C4' energy: -107.041
flat angles P-C4'-P energy: -78.280
tors. eta vs tors. theta energy: -125.777
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: 5, replica: 8
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -1667.661536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.661536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.661536 (E_RNA)
where:
Base-Base interactions energy: -1181.013
where: short stacking energy: -492.792
Base-Backbone interact. energy: -1.599
local terms energy: -485.050033
where:
bonds (distance) C4'-P energy: -80.294
bonds (distance) P-C4' energy: -89.227
flat angles C4'-P-C4' energy: -111.255
flat angles P-C4'-P energy: -66.588
tors. eta vs tors. theta energy: -137.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -1404.307399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.307399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.307399 (E_RNA)
where:
Base-Base interactions energy: -964.195
where: short stacking energy: -387.071
Base-Backbone interact. energy: 1.337
local terms energy: -441.449397
where:
bonds (distance) C4'-P energy: -87.595
bonds (distance) P-C4' energy: -89.772
flat angles C4'-P-C4' energy: -101.999
flat angles P-C4'-P energy: -58.898
tors. eta vs tors. theta energy: -103.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -1344.053255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.053255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.053255 (E_RNA)
where:
Base-Base interactions energy: -883.934
where: short stacking energy: -386.220
Base-Backbone interact. energy: 0.541
local terms energy: -460.660433
where:
bonds (distance) C4'-P energy: -94.904
bonds (distance) P-C4' energy: -99.911
flat angles C4'-P-C4' energy: -107.157
flat angles P-C4'-P energy: -55.073
tors. eta vs tors. theta energy: -103.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -1170.229544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.229544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.229544 (E_RNA)
where:
Base-Base interactions energy: -800.455
where: short stacking energy: -323.031
Base-Backbone interact. energy: -2.327
local terms energy: -367.447565
where:
bonds (distance) C4'-P energy: -91.238
bonds (distance) P-C4' energy: -67.332
flat angles C4'-P-C4' energy: -89.483
flat angles P-C4'-P energy: -54.312
tors. eta vs tors. theta energy: -65.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -1081.582102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.582102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.582102 (E_RNA)
where:
Base-Base interactions energy: -690.215
where: short stacking energy: -302.120
Base-Backbone interact. energy: 0.549
local terms energy: -391.915949
where:
bonds (distance) C4'-P energy: -93.363
bonds (distance) P-C4' energy: -97.037
flat angles C4'-P-C4' energy: -81.743
flat angles P-C4'-P energy: -51.115
tors. eta vs tors. theta energy: -68.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -875.786409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -875.786409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -875.786409 (E_RNA)
where:
Base-Base interactions energy: -552.191
where: short stacking energy: -262.716
Base-Backbone interact. energy: 1.596
local terms energy: -325.191416
where:
bonds (distance) C4'-P energy: -77.715
bonds (distance) P-C4' energy: -84.213
flat angles C4'-P-C4' energy: -83.395
flat angles P-C4'-P energy: -42.508
tors. eta vs tors. theta energy: -37.360
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: 2
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -1916.920188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.920188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.920188 (E_RNA)
where:
Base-Base interactions energy: -1368.876
where: short stacking energy: -564.507
Base-Backbone interact. energy: -3.308
local terms energy: -544.736597
where:
bonds (distance) C4'-P energy: -88.800
bonds (distance) P-C4' energy: -105.253
flat angles C4'-P-C4' energy: -126.277
flat angles P-C4'-P energy: -77.587
tors. eta vs tors. theta energy: -146.819
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: 4
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -1892.309937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.309937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.309937 (E_RNA)
where:
Base-Base interactions energy: -1344.392
where: short stacking energy: -542.000
Base-Backbone interact. energy: -1.572
local terms energy: -546.345410
where:
bonds (distance) C4'-P energy: -100.396
bonds (distance) P-C4' energy: -106.972
flat angles C4'-P-C4' energy: -112.625
flat angles P-C4'-P energy: -77.715
tors. eta vs tors. theta energy: -148.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -1825.089565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.089565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.089565 (E_RNA)
where:
Base-Base interactions energy: -1297.139
where: short stacking energy: -519.054
Base-Backbone interact. energy: -1.551
local terms energy: -526.400174
where:
bonds (distance) C4'-P energy: -90.672
bonds (distance) P-C4' energy: -105.772
flat angles C4'-P-C4' energy: -97.951
flat angles P-C4'-P energy: -82.943
tors. eta vs tors. theta energy: -149.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -1724.014547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.014547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.014547 (E_RNA)
where:
Base-Base interactions energy: -1224.684
where: short stacking energy: -487.945
Base-Backbone interact. energy: -0.907
local terms energy: -498.422706
where:
bonds (distance) C4'-P energy: -81.885
bonds (distance) P-C4' energy: -96.210
flat angles C4'-P-C4' energy: -103.817
flat angles P-C4'-P energy: -75.210
tors. eta vs tors. theta energy: -141.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -1693.026691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.026691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.026691 (E_RNA)
where:
Base-Base interactions energy: -1201.255
where: short stacking energy: -493.826
Base-Backbone interact. energy: 0.110
local terms energy: -491.881828
where:
bonds (distance) C4'-P energy: -93.740
bonds (distance) P-C4' energy: -91.325
flat angles C4'-P-C4' energy: -108.414
flat angles P-C4'-P energy: -67.189
tors. eta vs tors. theta energy: -131.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -1373.640743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.640743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.640743 (E_RNA)
where:
Base-Base interactions energy: -944.473
where: short stacking energy: -400.922
Base-Backbone interact. energy: 0.493
local terms energy: -429.661447
where:
bonds (distance) C4'-P energy: -85.814
bonds (distance) P-C4' energy: -85.259
flat angles C4'-P-C4' energy: -98.563
flat angles P-C4'-P energy: -63.754
tors. eta vs tors. theta energy: -96.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -1381.804795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1381.804795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1381.804795 (E_RNA)
where:
Base-Base interactions energy: -965.267
where: short stacking energy: -397.563
Base-Backbone interact. energy: -0.690
local terms energy: -415.848391
where:
bonds (distance) C4'-P energy: -78.941
bonds (distance) P-C4' energy: -81.474
flat angles C4'-P-C4' energy: -99.454
flat angles P-C4'-P energy: -58.209
tors. eta vs tors. theta energy: -97.770
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: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -1187.252403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.252403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.252403 (E_RNA)
where:
Base-Base interactions energy: -826.341
where: short stacking energy: -362.982
Base-Backbone interact. energy: -2.401
local terms energy: -358.510513
where:
bonds (distance) C4'-P energy: -65.528
bonds (distance) P-C4' energy: -91.232
flat angles C4'-P-C4' energy: -81.325
flat angles P-C4'-P energy: -57.926
tors. eta vs tors. theta energy: -62.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -1047.050680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.050680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.050680 (E_RNA)
where:
Base-Base interactions energy: -686.935
where: short stacking energy: -308.118
Base-Backbone interact. energy: -1.992
local terms energy: -358.123678
where:
bonds (distance) C4'-P energy: -76.394
bonds (distance) P-C4' energy: -78.269
flat angles C4'-P-C4' energy: -87.821
flat angles P-C4'-P energy: -42.868
tors. eta vs tors. theta energy: -72.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -892.550148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.550148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.550148 (E_RNA)
where:
Base-Base interactions energy: -562.414
where: short stacking energy: -259.695
Base-Backbone interact. energy: 0.647
local terms energy: -330.783791
where:
bonds (distance) C4'-P energy: -79.414
bonds (distance) P-C4' energy: -92.783
flat angles C4'-P-C4' energy: -78.026
flat angles P-C4'-P energy: -52.578
tors. eta vs tors. theta energy: -27.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -1966.929710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.929710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.929710 (E_RNA)
where:
Base-Base interactions energy: -1397.281
where: short stacking energy: -558.150
Base-Backbone interact. energy: -0.889
local terms energy: -568.759327
where:
bonds (distance) C4'-P energy: -93.883
bonds (distance) P-C4' energy: -112.712
flat angles C4'-P-C4' energy: -119.574
flat angles P-C4'-P energy: -84.015
tors. eta vs tors. theta energy: -158.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -1868.262492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.262492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.262492 (E_RNA)
where:
Base-Base interactions energy: -1343.865
where: short stacking energy: -523.314
Base-Backbone interact. energy: 8.915
local terms energy: -533.312249
where:
bonds (distance) C4'-P energy: -95.593
bonds (distance) P-C4' energy: -99.939
flat angles C4'-P-C4' energy: -118.037
flat angles P-C4'-P energy: -77.026
tors. eta vs tors. theta energy: -142.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -1840.134610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.134610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.134610 (E_RNA)
where:
Base-Base interactions energy: -1283.777
where: short stacking energy: -521.121
Base-Backbone interact. energy: -1.056
local terms energy: -555.301735
where:
bonds (distance) C4'-P energy: -105.951
bonds (distance) P-C4' energy: -96.131
flat angles C4'-P-C4' energy: -110.140
flat angles P-C4'-P energy: -91.382
tors. eta vs tors. theta energy: -151.697
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: 8
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -1701.677584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.677584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.677584 (E_RNA)
where:
Base-Base interactions energy: -1231.174
where: short stacking energy: -501.265
Base-Backbone interact. energy: -2.449
local terms energy: -468.054254
where:
bonds (distance) C4'-P energy: -78.373
bonds (distance) P-C4' energy: -82.240
flat angles C4'-P-C4' energy: -109.824
flat angles P-C4'-P energy: -72.884
tors. eta vs tors. theta energy: -124.733
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: 3
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -1632.954443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.954443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.954443 (E_RNA)
where:
Base-Base interactions energy: -1146.019
where: short stacking energy: -454.014
Base-Backbone interact. energy: 5.845
local terms energy: -492.780858
where:
bonds (distance) C4'-P energy: -91.416
bonds (distance) P-C4' energy: -101.871
flat angles C4'-P-C4' energy: -104.222
flat angles P-C4'-P energy: -77.489
tors. eta vs tors. theta energy: -117.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -1399.175342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.175342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.175342 (E_RNA)
where:
Base-Base interactions energy: -940.894
where: short stacking energy: -431.118
Base-Backbone interact. energy: -0.482
local terms energy: -457.798732
where:
bonds (distance) C4'-P energy: -94.721
bonds (distance) P-C4' energy: -95.611
flat angles C4'-P-C4' energy: -111.935
flat angles P-C4'-P energy: -51.293
tors. eta vs tors. theta energy: -104.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -1426.659960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.659960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.659960 (E_RNA)
where:
Base-Base interactions energy: -966.072
where: short stacking energy: -398.457
Base-Backbone interact. energy: 0.617
local terms energy: -461.204614
where:
bonds (distance) C4'-P energy: -88.251
bonds (distance) P-C4' energy: -92.941
flat angles C4'-P-C4' energy: -112.061
flat angles P-C4'-P energy: -73.299
tors. eta vs tors. theta energy: -94.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -1170.903515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1170.903515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1170.903515 (E_RNA)
where:
Base-Base interactions energy: -790.679
where: short stacking energy: -330.442
Base-Backbone interact. energy: -2.773
local terms energy: -377.451117
where:
bonds (distance) C4'-P energy: -74.583
bonds (distance) P-C4' energy: -80.724
flat angles C4'-P-C4' energy: -101.754
flat angles P-C4'-P energy: -51.923
tors. eta vs tors. theta energy: -68.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -1048.657506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.657506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.657506 (E_RNA)
where:
Base-Base interactions energy: -677.446
where: short stacking energy: -320.589
Base-Backbone interact. energy: 3.548
local terms energy: -374.760064
where:
bonds (distance) C4'-P energy: -84.366
bonds (distance) P-C4' energy: -87.808
flat angles C4'-P-C4' energy: -83.267
flat angles P-C4'-P energy: -58.769
tors. eta vs tors. theta energy: -60.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -881.890174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -881.890174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -881.890174 (E_RNA)
where:
Base-Base interactions energy: -569.761
where: short stacking energy: -242.619
Base-Backbone interact. energy: 0.638
local terms energy: -312.766625
where:
bonds (distance) C4'-P energy: -74.251
bonds (distance) P-C4' energy: -79.680
flat angles C4'-P-C4' energy: -83.529
flat angles P-C4'-P energy: -54.102
tors. eta vs tors. theta energy: -21.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -1957.140474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.140474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.140474 (E_RNA)
where:
Base-Base interactions energy: -1384.120
where: short stacking energy: -551.544
Base-Backbone interact. energy: 0.004
local terms energy: -573.024562
where:
bonds (distance) C4'-P energy: -106.083
bonds (distance) P-C4' energy: -114.356
flat angles C4'-P-C4' energy: -116.157
flat angles P-C4'-P energy: -80.794
tors. eta vs tors. theta energy: -155.636
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: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -1883.135216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.135216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.135216 (E_RNA)
where:
Base-Base interactions energy: -1329.114
where: short stacking energy: -534.049
Base-Backbone interact. energy: -2.305
local terms energy: -551.715775
where:
bonds (distance) C4'-P energy: -104.435
bonds (distance) P-C4' energy: -105.699
flat angles C4'-P-C4' energy: -120.285
flat angles P-C4'-P energy: -68.271
tors. eta vs tors. theta energy: -153.026
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: 223
Temperature: 1.000000
Total energy: -1832.385001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.385001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.385001 (E_RNA)
where:
Base-Base interactions energy: -1313.233
where: short stacking energy: -553.643
Base-Backbone interact. energy: 0.674
local terms energy: -519.825853
where:
bonds (distance) C4'-P energy: -77.973
bonds (distance) P-C4' energy: -80.423
flat angles C4'-P-C4' energy: -121.239
flat angles P-C4'-P energy: -82.772
tors. eta vs tors. theta energy: -157.419
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: 8
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -1751.454216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.454216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.454216 (E_RNA)
where:
Base-Base interactions energy: -1226.050
where: short stacking energy: -503.737
Base-Backbone interact. energy: -1.341
local terms energy: -524.062431
where:
bonds (distance) C4'-P energy: -97.804
bonds (distance) P-C4' energy: -112.320
flat angles C4'-P-C4' energy: -97.486
flat angles P-C4'-P energy: -78.187
tors. eta vs tors. theta energy: -138.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -1640.013406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.013406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.013406 (E_RNA)
where:
Base-Base interactions energy: -1148.093
where: short stacking energy: -457.818
Base-Backbone interact. energy: -2.140
local terms energy: -489.779992
where:
bonds (distance) C4'-P energy: -94.705
bonds (distance) P-C4' energy: -103.775
flat angles C4'-P-C4' energy: -111.786
flat angles P-C4'-P energy: -65.680
tors. eta vs tors. theta energy: -113.833
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: 7
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -1436.660967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.660967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.660967 (E_RNA)
where:
Base-Base interactions energy: -988.000
where: short stacking energy: -437.322
Base-Backbone interact. energy: -0.231
local terms energy: -448.430117
where:
bonds (distance) C4'-P energy: -86.188
bonds (distance) P-C4' energy: -95.526
flat angles C4'-P-C4' energy: -89.519
flat angles P-C4'-P energy: -69.727
tors. eta vs tors. theta energy: -107.470
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: 7, replica: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -1385.219406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.219406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.219406 (E_RNA)
where:
Base-Base interactions energy: -953.712
where: short stacking energy: -410.581
Base-Backbone interact. energy: -2.457
local terms energy: -429.050314
where:
bonds (distance) C4'-P energy: -87.200
bonds (distance) P-C4' energy: -83.912
flat angles C4'-P-C4' energy: -98.857
flat angles P-C4'-P energy: -58.409
tors. eta vs tors. theta energy: -100.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -1180.290402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1180.290402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1180.290402 (E_RNA)
where:
Base-Base interactions energy: -788.799
where: short stacking energy: -350.453
Base-Backbone interact. energy: 0.807
local terms energy: -392.298747
where:
bonds (distance) C4'-P energy: -86.072
bonds (distance) P-C4' energy: -93.334
flat angles C4'-P-C4' energy: -86.489
flat angles P-C4'-P energy: -52.993
tors. eta vs tors. theta energy: -73.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -1036.126369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.126369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.126369 (E_RNA)
where:
Base-Base interactions energy: -681.515
where: short stacking energy: -303.972
Base-Backbone interact. energy: 0.207
local terms energy: -354.818327
where:
bonds (distance) C4'-P energy: -73.268
bonds (distance) P-C4' energy: -100.099
flat angles C4'-P-C4' energy: -87.730
flat angles P-C4'-P energy: -42.457
tors. eta vs tors. theta energy: -51.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -889.396423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -889.396423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -889.396423 (E_RNA)
where:
Base-Base interactions energy: -553.152
where: short stacking energy: -235.675
Base-Backbone interact. energy: -0.877
local terms energy: -335.367893
where:
bonds (distance) C4'-P energy: -87.727
bonds (distance) P-C4' energy: -91.556
flat angles C4'-P-C4' energy: -71.012
flat angles P-C4'-P energy: -54.074
tors. eta vs tors. theta energy: -31.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -1959.198470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.198470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.198470 (E_RNA)
where:
Base-Base interactions energy: -1403.788
where: short stacking energy: -573.530
Base-Backbone interact. energy: -1.325
local terms energy: -554.085818
where:
bonds (distance) C4'-P energy: -93.262
bonds (distance) P-C4' energy: -108.340
flat angles C4'-P-C4' energy: -121.674
flat angles P-C4'-P energy: -77.473
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: 2, replica: 2
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -1888.540931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.540931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.540931 (E_RNA)
where:
Base-Base interactions energy: -1348.629
where: short stacking energy: -545.105
Base-Backbone interact. energy: 0.638
local terms energy: -540.549772
where:
bonds (distance) C4'-P energy: -102.782
bonds (distance) P-C4' energy: -91.351
flat angles C4'-P-C4' energy: -120.761
flat angles P-C4'-P energy: -81.349
tors. eta vs tors. theta energy: -144.307
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: 1
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -1862.891704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.891704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.891704 (E_RNA)
where:
Base-Base interactions energy: -1312.156
where: short stacking energy: -528.685
Base-Backbone interact. energy: 4.386
local terms energy: -555.122178
where:
bonds (distance) C4'-P energy: -106.931
bonds (distance) P-C4' energy: -99.065
flat angles C4'-P-C4' energy: -122.872
flat angles P-C4'-P energy: -77.429
tors. eta vs tors. theta energy: -148.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -1746.741443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.741443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.741443 (E_RNA)
where:
Base-Base interactions energy: -1242.189
where: short stacking energy: -520.353
Base-Backbone interact. energy: -0.528
local terms energy: -504.024254
where:
bonds (distance) C4'-P energy: -91.914
bonds (distance) P-C4' energy: -86.254
flat angles C4'-P-C4' energy: -108.095
flat angles P-C4'-P energy: -73.712
tors. eta vs tors. theta energy: -144.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -1633.163590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.163590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.163590 (E_RNA)
where:
Base-Base interactions energy: -1138.868
where: short stacking energy: -474.907
Base-Backbone interact. energy: -1.694
local terms energy: -492.601615
where:
bonds (distance) C4'-P energy: -92.945
bonds (distance) P-C4' energy: -105.872
flat angles C4'-P-C4' energy: -104.008
flat angles P-C4'-P energy: -70.480
tors. eta vs tors. theta energy: -119.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -1419.350112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.350112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.350112 (E_RNA)
where:
Base-Base interactions energy: -961.691
where: short stacking energy: -417.722
Base-Backbone interact. energy: -1.734
local terms energy: -455.925581
where:
bonds (distance) C4'-P energy: -77.537
bonds (distance) P-C4' energy: -94.022
flat angles C4'-P-C4' energy: -105.873
flat angles P-C4'-P energy: -72.629
tors. eta vs tors. theta energy: -105.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -1349.799679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.799679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.799679 (E_RNA)
where:
Base-Base interactions energy: -929.045
where: short stacking energy: -396.444
Base-Backbone interact. energy: 0.276
local terms energy: -421.031260
where:
bonds (distance) C4'-P energy: -77.790
bonds (distance) P-C4' energy: -79.914
flat angles C4'-P-C4' energy: -93.283
flat angles P-C4'-P energy: -66.314
tors. eta vs tors. theta energy: -103.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -1205.717436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.717436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.717436 (E_RNA)
where:
Base-Base interactions energy: -823.456
where: short stacking energy: -360.976
Base-Backbone interact. energy: 1.680
local terms energy: -383.942228
where:
bonds (distance) C4'-P energy: -84.412
bonds (distance) P-C4' energy: -91.922
flat angles C4'-P-C4' energy: -80.445
flat angles P-C4'-P energy: -57.221
tors. eta vs tors. theta energy: -69.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -1044.332412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.332412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.332412 (E_RNA)
where:
Base-Base interactions energy: -663.653
where: short stacking energy: -281.616
Base-Backbone interact. energy: 0.052
local terms energy: -380.731366
where:
bonds (distance) C4'-P energy: -92.267
bonds (distance) P-C4' energy: -95.695
flat angles C4'-P-C4' energy: -85.500
flat angles P-C4'-P energy: -53.454
tors. eta vs tors. theta energy: -53.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -849.935290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.935290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.935290 (E_RNA)
where:
Base-Base interactions energy: -542.273
where: short stacking energy: -257.502
Base-Backbone interact. energy: -0.102
local terms energy: -307.560942
where:
bonds (distance) C4'-P energy: -72.322
bonds (distance) P-C4' energy: -81.080
flat angles C4'-P-C4' energy: -90.140
flat angles P-C4'-P energy: -42.044
tors. eta vs tors. theta energy: -21.975
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: 1, replica: 4
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -1959.391005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.391005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.391005 (E_RNA)
where:
Base-Base interactions energy: -1372.774
where: short stacking energy: -545.160
Base-Backbone interact. energy: -2.286
local terms energy: -584.331710
where:
bonds (distance) C4'-P energy: -108.769
bonds (distance) P-C4' energy: -112.492
flat angles C4'-P-C4' energy: -122.368
flat angles P-C4'-P energy: -80.711
tors. eta vs tors. theta energy: -159.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -1869.440810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.440810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.440810 (E_RNA)
where:
Base-Base interactions energy: -1325.685
where: short stacking energy: -534.531
Base-Backbone interact. energy: 0.492
local terms energy: -544.247763
where:
bonds (distance) C4'-P energy: -89.656
bonds (distance) P-C4' energy: -100.930
flat angles C4'-P-C4' energy: -121.439
flat angles P-C4'-P energy: -79.228
tors. eta vs tors. theta energy: -152.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -1819.570275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.570275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.570275 (E_RNA)
where:
Base-Base interactions energy: -1301.297
where: short stacking energy: -517.039
Base-Backbone interact. energy: 2.541
local terms energy: -520.814828
where:
bonds (distance) C4'-P energy: -95.092
bonds (distance) P-C4' energy: -96.731
flat angles C4'-P-C4' energy: -109.753
flat angles P-C4'-P energy: -73.817
tors. eta vs tors. theta energy: -145.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -1669.582864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.582864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.582864 (E_RNA)
where:
Base-Base interactions energy: -1179.131
where: short stacking energy: -485.958
Base-Backbone interact. energy: 0.382
local terms energy: -490.834451
where:
bonds (distance) C4'-P energy: -93.212
bonds (distance) P-C4' energy: -79.237
flat angles C4'-P-C4' energy: -121.404
flat angles P-C4'-P energy: -76.713
tors. eta vs tors. theta energy: -120.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -1661.881890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.881890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.881890 (E_RNA)
where:
Base-Base interactions energy: -1194.273
where: short stacking energy: -454.887
Base-Backbone interact. energy: -3.010
local terms energy: -464.599796
where:
bonds (distance) C4'-P energy: -75.632
bonds (distance) P-C4' energy: -85.009
flat angles C4'-P-C4' energy: -106.584
flat angles P-C4'-P energy: -71.873
tors. eta vs tors. theta energy: -125.503
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: 6, replica: 7
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -1412.247062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.247062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.247062 (E_RNA)
where:
Base-Base interactions energy: -945.688
where: short stacking energy: -402.117
Base-Backbone interact. energy: 0.776
local terms energy: -467.334877
where:
bonds (distance) C4'-P energy: -94.372
bonds (distance) P-C4' energy: -107.278
flat angles C4'-P-C4' energy: -93.119
flat angles P-C4'-P energy: -69.210
tors. eta vs tors. theta energy: -103.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -1399.864180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.864180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.864180 (E_RNA)
where:
Base-Base interactions energy: -980.526
where: short stacking energy: -421.317
Base-Backbone interact. energy: -1.842
local terms energy: -417.496456
where:
bonds (distance) C4'-P energy: -68.412
bonds (distance) P-C4' energy: -92.030
flat angles C4'-P-C4' energy: -95.153
flat angles P-C4'-P energy: -62.834
tors. eta vs tors. theta energy: -99.067
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: 5
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -1150.191898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1150.191898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1150.191898 (E_RNA)
where:
Base-Base interactions energy: -748.732
where: short stacking energy: -338.014
Base-Backbone interact. energy: -3.055
local terms energy: -398.405425
where:
bonds (distance) C4'-P energy: -90.632
bonds (distance) P-C4' energy: -88.226
flat angles C4'-P-C4' energy: -77.609
flat angles P-C4'-P energy: -74.751
tors. eta vs tors. theta energy: -67.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -1052.549360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.549360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.549360 (E_RNA)
where:
Base-Base interactions energy: -666.162
where: short stacking energy: -282.316
Base-Backbone interact. energy: -1.654
local terms energy: -384.733649
where:
bonds (distance) C4'-P energy: -84.399
bonds (distance) P-C4' energy: -86.736
flat angles C4'-P-C4' energy: -98.366
flat angles P-C4'-P energy: -55.776
tors. eta vs tors. theta energy: -59.457
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: 10
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -858.652899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -858.652899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -858.652899 (E_RNA)
where:
Base-Base interactions energy: -536.765
where: short stacking energy: -254.419
Base-Backbone interact. energy: 3.023
local terms energy: -324.910813
where:
bonds (distance) C4'-P energy: -79.246
bonds (distance) P-C4' energy: -75.426
flat angles C4'-P-C4' energy: -80.775
flat angles P-C4'-P energy: -57.865
tors. eta vs tors. theta energy: -31.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -1932.005244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.005244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.005244 (E_RNA)
where:
Base-Base interactions energy: -1369.832
where: short stacking energy: -565.527
Base-Backbone interact. energy: -3.429
local terms energy: -558.744247
where:
bonds (distance) C4'-P energy: -102.471
bonds (distance) P-C4' energy: -104.063
flat angles C4'-P-C4' energy: -110.113
flat angles P-C4'-P energy: -79.867
tors. eta vs tors. theta energy: -162.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -1856.259548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.259548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.259548 (E_RNA)
where:
Base-Base interactions energy: -1327.780
where: short stacking energy: -519.905
Base-Backbone interact. energy: -0.741
local terms energy: -527.738147
where:
bonds (distance) C4'-P energy: -98.743
bonds (distance) P-C4' energy: -105.510
flat angles C4'-P-C4' energy: -111.871
flat angles P-C4'-P energy: -72.955
tors. eta vs tors. theta energy: -138.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -1774.342050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.342050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.342050 (E_RNA)
where:
Base-Base interactions energy: -1252.020
where: short stacking energy: -504.213
Base-Backbone interact. energy: -1.196
local terms energy: -521.125452
where:
bonds (distance) C4'-P energy: -92.861
bonds (distance) P-C4' energy: -106.936
flat angles C4'-P-C4' energy: -121.159
flat angles P-C4'-P energy: -64.368
tors. eta vs tors. theta energy: -135.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -1693.494998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.494998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.494998 (E_RNA)
where:
Base-Base interactions energy: -1200.343
where: short stacking energy: -470.173
Base-Backbone interact. energy: 0.566
local terms energy: -493.718055
where:
bonds (distance) C4'-P energy: -85.715
bonds (distance) P-C4' energy: -105.727
flat angles C4'-P-C4' energy: -105.148
flat angles P-C4'-P energy: -73.396
tors. eta vs tors. theta energy: -123.732
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: 8
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -1696.924094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.924094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.924094 (E_RNA)
where:
Base-Base interactions energy: -1201.014
where: short stacking energy: -489.960
Base-Backbone interact. energy: 1.381
local terms energy: -497.290734
where:
bonds (distance) C4'-P energy: -84.522
bonds (distance) P-C4' energy: -103.293
flat angles C4'-P-C4' energy: -111.957
flat angles P-C4'-P energy: -68.010
tors. eta vs tors. theta energy: -129.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -1378.503249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.503249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.503249 (E_RNA)
where:
Base-Base interactions energy: -933.086
where: short stacking energy: -412.609
Base-Backbone interact. energy: -0.381
local terms energy: -445.036508
where:
bonds (distance) C4'-P energy: -88.102
bonds (distance) P-C4' energy: -97.849
flat angles C4'-P-C4' energy: -111.222
flat angles P-C4'-P energy: -54.322
tors. eta vs tors. theta energy: -93.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -1344.879499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.879499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.879499 (E_RNA)
where:
Base-Base interactions energy: -921.316
where: short stacking energy: -380.705
Base-Backbone interact. energy: -2.456
local terms energy: -421.107632
where:
bonds (distance) C4'-P energy: -97.205
bonds (distance) P-C4' energy: -94.938
flat angles C4'-P-C4' energy: -84.325
flat angles P-C4'-P energy: -53.062
tors. eta vs tors. theta energy: -91.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -1212.930095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1212.930095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1212.930095 (E_RNA)
where:
Base-Base interactions energy: -830.953
where: short stacking energy: -371.671
Base-Backbone interact. energy: 0.826
local terms energy: -382.803335
where:
bonds (distance) C4'-P energy: -82.311
bonds (distance) P-C4' energy: -78.689
flat angles C4'-P-C4' energy: -82.769
flat angles P-C4'-P energy: -62.991
tors. eta vs tors. theta energy: -76.043
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: 226
Temperature: 1.300000
Total energy: -955.064258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -955.064258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -955.064258 (E_RNA)
where:
Base-Base interactions energy: -611.619
where: short stacking energy: -284.735
Base-Backbone interact. energy: -0.333
local terms energy: -343.112210
where:
bonds (distance) C4'-P energy: -84.776
bonds (distance) P-C4' energy: -85.113
flat angles C4'-P-C4' energy: -87.270
flat angles P-C4'-P energy: -37.766
tors. eta vs tors. theta energy: -48.187
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: 6
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -978.425915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -978.425915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -978.425915 (E_RNA)
where:
Base-Base interactions energy: -638.294
where: short stacking energy: -286.269
Base-Backbone interact. energy: 0.985
local terms energy: -341.117390
where:
bonds (distance) C4'-P energy: -73.954
bonds (distance) P-C4' energy: -79.402
flat angles C4'-P-C4' energy: -76.038
flat angles P-C4'-P energy: -54.277
tors. eta vs tors. theta energy: -57.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -1953.918178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.918178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.918178 (E_RNA)
where:
Base-Base interactions energy: -1393.645
where: short stacking energy: -562.343
Base-Backbone interact. energy: -2.475
local terms energy: -557.798272
where:
bonds (distance) C4'-P energy: -100.069
bonds (distance) P-C4' energy: -100.583
flat angles C4'-P-C4' energy: -119.233
flat angles P-C4'-P energy: -83.847
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: 2, replica: 1
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -1866.540934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.540934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.540934 (E_RNA)
where:
Base-Base interactions energy: -1341.183
where: short stacking energy: -546.290
Base-Backbone interact. energy: 1.330
local terms energy: -526.688066
where:
bonds (distance) C4'-P energy: -101.097
bonds (distance) P-C4' energy: -85.977
flat angles C4'-P-C4' energy: -113.757
flat angles P-C4'-P energy: -71.469
tors. eta vs tors. theta energy: -154.389
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: 2
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -1807.295851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.295851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.295851 (E_RNA)
where:
Base-Base interactions energy: -1289.144
where: short stacking energy: -500.930
Base-Backbone interact. energy: 0.359
local terms energy: -518.511180
where:
bonds (distance) C4'-P energy: -105.904
bonds (distance) P-C4' energy: -93.784
flat angles C4'-P-C4' energy: -109.540
flat angles P-C4'-P energy: -70.366
tors. eta vs tors. theta energy: -138.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -1728.760601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.760601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.760601 (E_RNA)
where:
Base-Base interactions energy: -1218.234
where: short stacking energy: -503.653
Base-Backbone interact. energy: 0.323
local terms energy: -510.849748
where:
bonds (distance) C4'-P energy: -90.444
bonds (distance) P-C4' energy: -99.039
flat angles C4'-P-C4' energy: -118.719
flat angles P-C4'-P energy: -72.012
tors. eta vs tors. theta energy: -130.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -1662.604634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.604634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.604634 (E_RNA)
where:
Base-Base interactions energy: -1180.506
where: short stacking energy: -476.061
Base-Backbone interact. energy: -0.520
local terms energy: -481.578459
where:
bonds (distance) C4'-P energy: -91.996
bonds (distance) P-C4' energy: -101.791
flat angles C4'-P-C4' energy: -98.766
flat angles P-C4'-P energy: -67.629
tors. eta vs tors. theta energy: -121.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -1432.349386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.349386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.349386 (E_RNA)
where:
Base-Base interactions energy: -979.959
where: short stacking energy: -413.576
Base-Backbone interact. energy: -0.378
local terms energy: -452.012318
where:
bonds (distance) C4'-P energy: -96.509
bonds (distance) P-C4' energy: -92.978
flat angles C4'-P-C4' energy: -96.010
flat angles P-C4'-P energy: -65.647
tors. eta vs tors. theta energy: -100.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -1348.091050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.091050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.091050 (E_RNA)
where:
Base-Base interactions energy: -935.723
where: short stacking energy: -396.324
Base-Backbone interact. energy: -1.060
local terms energy: -411.307679
where:
bonds (distance) C4'-P energy: -58.699
bonds (distance) P-C4' energy: -98.298
flat angles C4'-P-C4' energy: -99.242
flat angles P-C4'-P energy: -61.489
tors. eta vs tors. theta energy: -93.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -1208.931360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.931360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.931360 (E_RNA)
where:
Base-Base interactions energy: -821.460
where: short stacking energy: -346.580
Base-Backbone interact. energy: 0.541
local terms energy: -388.012399
where:
bonds (distance) C4'-P energy: -90.291
bonds (distance) P-C4' energy: -81.253
flat angles C4'-P-C4' energy: -90.612
flat angles P-C4'-P energy: -64.022
tors. eta vs tors. theta energy: -61.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -989.505933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -989.505933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -989.505933 (E_RNA)
where:
Base-Base interactions energy: -629.760
where: short stacking energy: -268.571
Base-Backbone interact. energy: -2.691
local terms energy: -357.054631
where:
bonds (distance) C4'-P energy: -106.759
bonds (distance) P-C4' energy: -86.900
flat angles C4'-P-C4' energy: -76.410
flat angles P-C4'-P energy: -54.569
tors. eta vs tors. theta energy: -32.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -924.692146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -924.692146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -924.692146 (E_RNA)
where:
Base-Base interactions energy: -575.527
where: short stacking energy: -254.303
Base-Backbone interact. energy: 1.114
local terms energy: -350.278989
where:
bonds (distance) C4'-P energy: -88.007
bonds (distance) P-C4' energy: -90.970
flat angles C4'-P-C4' energy: -85.516
flat angles P-C4'-P energy: -59.923
tors. eta vs tors. theta energy: -25.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -1961.901309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.901309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.901309 (E_RNA)
where:
Base-Base interactions energy: -1403.927
where: short stacking energy: -565.360
Base-Backbone interact. energy: -2.972
local terms energy: -555.002872
where:
bonds (distance) C4'-P energy: -107.595
bonds (distance) P-C4' energy: -93.843
flat angles C4'-P-C4' energy: -121.379
flat angles P-C4'-P energy: -79.256
tors. eta vs tors. theta energy: -152.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -1873.282447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.282447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.282447 (E_RNA)
where:
Base-Base interactions energy: -1320.082
where: short stacking energy: -544.582
Base-Backbone interact. energy: 2.369
local terms energy: -555.569018
where:
bonds (distance) C4'-P energy: -97.567
bonds (distance) P-C4' energy: -110.474
flat angles C4'-P-C4' energy: -120.292
flat angles P-C4'-P energy: -73.074
tors. eta vs tors. theta energy: -154.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -1805.327664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.327664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.327664 (E_RNA)
where:
Base-Base interactions energy: -1286.866
where: short stacking energy: -525.464
Base-Backbone interact. energy: -1.602
local terms energy: -516.859918
where:
bonds (distance) C4'-P energy: -101.255
bonds (distance) P-C4' energy: -89.976
flat angles C4'-P-C4' energy: -108.327
flat angles P-C4'-P energy: -74.832
tors. eta vs tors. theta energy: -142.470
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: 4, replica: 8
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -1733.434226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.434226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.434226 (E_RNA)
where:
Base-Base interactions energy: -1219.749
where: short stacking energy: -521.960
Base-Backbone interact. energy: -1.445
local terms energy: -512.240592
where:
bonds (distance) C4'-P energy: -88.549
bonds (distance) P-C4' energy: -100.324
flat angles C4'-P-C4' energy: -111.267
flat angles P-C4'-P energy: -75.325
tors. eta vs tors. theta energy: -136.775
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: 3
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -1625.862002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.862002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.862002 (E_RNA)
where:
Base-Base interactions energy: -1153.550
where: short stacking energy: -472.449
Base-Backbone interact. energy: 0.875
local terms energy: -473.187553
where:
bonds (distance) C4'-P energy: -90.078
bonds (distance) P-C4' energy: -85.630
flat angles C4'-P-C4' energy: -103.109
flat angles P-C4'-P energy: -75.902
tors. eta vs tors. theta energy: -118.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -1446.379231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.379231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.379231 (E_RNA)
where:
Base-Base interactions energy: -979.847
where: short stacking energy: -446.919
Base-Backbone interact. energy: -1.034
local terms energy: -465.497870
where:
bonds (distance) C4'-P energy: -88.001
bonds (distance) P-C4' energy: -96.525
flat angles C4'-P-C4' energy: -94.577
flat angles P-C4'-P energy: -71.440
tors. eta vs tors. theta energy: -114.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -1351.595196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.595196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.595196 (E_RNA)
where:
Base-Base interactions energy: -914.409
where: short stacking energy: -398.773
Base-Backbone interact. energy: -4.059
local terms energy: -433.127217
where:
bonds (distance) C4'-P energy: -92.498
bonds (distance) P-C4' energy: -97.795
flat angles C4'-P-C4' energy: -83.039
flat angles P-C4'-P energy: -63.596
tors. eta vs tors. theta energy: -96.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -1230.758119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.758119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.758119 (E_RNA)
where:
Base-Base interactions energy: -853.722
where: short stacking energy: -354.282
Base-Backbone interact. energy: -0.670
local terms energy: -376.365629
where:
bonds (distance) C4'-P energy: -71.905
bonds (distance) P-C4' energy: -86.475
flat angles C4'-P-C4' energy: -94.324
flat angles P-C4'-P energy: -38.371
tors. eta vs tors. theta energy: -85.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -995.855479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -995.855479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -995.855479 (E_RNA)
where:
Base-Base interactions energy: -649.988
where: short stacking energy: -281.973
Base-Backbone interact. energy: -1.855
local terms energy: -344.012017
where:
bonds (distance) C4'-P energy: -75.619
bonds (distance) P-C4' energy: -86.543
flat angles C4'-P-C4' energy: -87.838
flat angles P-C4'-P energy: -58.518
tors. eta vs tors. theta energy: -35.493
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: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -948.041054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -948.041054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -948.041054 (E_RNA)
where:
Base-Base interactions energy: -611.872
where: short stacking energy: -261.456
Base-Backbone interact. energy: -0.805
local terms energy: -335.364403
where:
bonds (distance) C4'-P energy: -75.288
bonds (distance) P-C4' energy: -83.414
flat angles C4'-P-C4' energy: -95.230
flat angles P-C4'-P energy: -39.390
tors. eta vs tors. theta energy: -42.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -1952.655527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.655527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.655527 (E_RNA)
where:
Base-Base interactions energy: -1401.464
where: short stacking energy: -576.643
Base-Backbone interact. energy: -2.285
local terms energy: -548.906458
where:
bonds (distance) C4'-P energy: -79.592
bonds (distance) P-C4' energy: -106.479
flat angles C4'-P-C4' energy: -120.024
flat angles P-C4'-P energy: -84.824
tors. eta vs tors. theta energy: -157.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -1864.208205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.208205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.208205 (E_RNA)
where:
Base-Base interactions energy: -1321.465
where: short stacking energy: -520.795
Base-Backbone interact. energy: 3.133
local terms energy: -545.876299
where:
bonds (distance) C4'-P energy: -99.347
bonds (distance) P-C4' energy: -112.854
flat angles C4'-P-C4' energy: -111.497
flat angles P-C4'-P energy: -79.147
tors. eta vs tors. theta energy: -143.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -1802.162371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.162371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.162371 (E_RNA)
where:
Base-Base interactions energy: -1279.378
where: short stacking energy: -513.377
Base-Backbone interact. energy: -1.033
local terms energy: -521.751588
where:
bonds (distance) C4'-P energy: -97.751
bonds (distance) P-C4' energy: -97.167
flat angles C4'-P-C4' energy: -105.103
flat angles P-C4'-P energy: -78.897
tors. eta vs tors. theta energy: -142.834
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: 8
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -1753.416036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.416036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.416036 (E_RNA)
where:
Base-Base interactions energy: -1252.504
where: short stacking energy: -526.320
Base-Backbone interact. energy: -2.072
local terms energy: -498.839109
where:
bonds (distance) C4'-P energy: -87.543
bonds (distance) P-C4' energy: -87.485
flat angles C4'-P-C4' energy: -112.179
flat angles P-C4'-P energy: -59.139
tors. eta vs tors. theta energy: -152.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -1635.201458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.201458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.201458 (E_RNA)
where:
Base-Base interactions energy: -1144.899
where: short stacking energy: -486.509
Base-Backbone interact. energy: -2.168
local terms energy: -488.133951
where:
bonds (distance) C4'-P energy: -93.802
bonds (distance) P-C4' energy: -84.362
flat angles C4'-P-C4' energy: -109.295
flat angles P-C4'-P energy: -77.458
tors. eta vs tors. theta energy: -123.217
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: 9
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -1472.145595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.145595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.145595 (E_RNA)
where:
Base-Base interactions energy: -1031.113
where: short stacking energy: -455.022
Base-Backbone interact. energy: -1.950
local terms energy: -439.082435
where:
bonds (distance) C4'-P energy: -74.660
bonds (distance) P-C4' energy: -78.329
flat angles C4'-P-C4' energy: -113.957
flat angles P-C4'-P energy: -70.651
tors. eta vs tors. theta energy: -101.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -1336.507871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1336.507871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1336.507871 (E_RNA)
where:
Base-Base interactions energy: -922.412
where: short stacking energy: -388.337
Base-Backbone interact. energy: 0.229
local terms energy: -414.324632
where:
bonds (distance) C4'-P energy: -83.558
bonds (distance) P-C4' energy: -87.865
flat angles C4'-P-C4' energy: -93.470
flat angles P-C4'-P energy: -58.235
tors. eta vs tors. theta energy: -91.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -1205.296761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1205.296761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1205.296761 (E_RNA)
where:
Base-Base interactions energy: -802.445
where: short stacking energy: -350.246
Base-Backbone interact. energy: -0.667
local terms energy: -402.184998
where:
bonds (distance) C4'-P energy: -91.439
bonds (distance) P-C4' energy: -83.202
flat angles C4'-P-C4' energy: -92.635
flat angles P-C4'-P energy: -54.424
tors. eta vs tors. theta energy: -80.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -970.733264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -970.733264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -970.733264 (E_RNA)
where:
Base-Base interactions energy: -629.507
where: short stacking energy: -279.897
Base-Backbone interact. energy: -2.691
local terms energy: -338.535094
where:
bonds (distance) C4'-P energy: -76.046
bonds (distance) P-C4' energy: -99.017
flat angles C4'-P-C4' energy: -87.600
flat angles P-C4'-P energy: -34.707
tors. eta vs tors. theta energy: -41.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -985.276019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.276019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.276019 (E_RNA)
where:
Base-Base interactions energy: -648.146
where: short stacking energy: -279.832
Base-Backbone interact. energy: -2.874
local terms energy: -334.256007
where:
bonds (distance) C4'-P energy: -82.016
bonds (distance) P-C4' energy: -70.182
flat angles C4'-P-C4' energy: -84.767
flat angles P-C4'-P energy: -58.157
tors. eta vs tors. theta energy: -39.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -1945.876675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.876675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.876675 (E_RNA)
where:
Base-Base interactions energy: -1378.915
where: short stacking energy: -548.239
Base-Backbone interact. energy: -1.397
local terms energy: -565.565058
where:
bonds (distance) C4'-P energy: -103.345
bonds (distance) P-C4' energy: -113.040
flat angles C4'-P-C4' energy: -115.284
flat angles P-C4'-P energy: -84.992
tors. eta vs tors. theta energy: -148.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -1882.755669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1882.755669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1882.755669 (E_RNA)
where:
Base-Base interactions energy: -1344.669
where: short stacking energy: -548.642
Base-Backbone interact. energy: 1.170
local terms energy: -539.255925
where:
bonds (distance) C4'-P energy: -100.731
bonds (distance) P-C4' energy: -94.696
flat angles C4'-P-C4' energy: -117.523
flat angles P-C4'-P energy: -70.029
tors. eta vs tors. theta energy: -156.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -1813.776862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1813.776862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1813.776862 (E_RNA)
where:
Base-Base interactions energy: -1284.322
where: short stacking energy: -509.675
Base-Backbone interact. energy: -2.381
local terms energy: -527.073581
where:
bonds (distance) C4'-P energy: -96.022
bonds (distance) P-C4' energy: -96.775
flat angles C4'-P-C4' energy: -116.868
flat angles P-C4'-P energy: -75.583
tors. eta vs tors. theta energy: -141.825
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: 8
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -1790.538550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.538550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.538550 (E_RNA)
where:
Base-Base interactions energy: -1244.491
where: short stacking energy: -527.373
Base-Backbone interact. energy: -1.329
local terms energy: -544.717764
where:
bonds (distance) C4'-P energy: -100.037
bonds (distance) P-C4' energy: -92.509
flat angles C4'-P-C4' energy: -113.100
flat angles P-C4'-P energy: -84.724
tors. eta vs tors. theta energy: -154.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -1678.758263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.758263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.758263 (E_RNA)
where:
Base-Base interactions energy: -1200.043
where: short stacking energy: -486.919
Base-Backbone interact. energy: -1.155
local terms energy: -477.560646
where:
bonds (distance) C4'-P energy: -87.113
bonds (distance) P-C4' energy: -100.743
flat angles C4'-P-C4' energy: -93.854
flat angles P-C4'-P energy: -61.491
tors. eta vs tors. theta energy: -134.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -1455.938246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.938246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.938246 (E_RNA)
where:
Base-Base interactions energy: -983.215
where: short stacking energy: -441.568
Base-Backbone interact. energy: 1.067
local terms energy: -473.790108
where:
bonds (distance) C4'-P energy: -99.289
bonds (distance) P-C4' energy: -99.651
flat angles C4'-P-C4' energy: -102.555
flat angles P-C4'-P energy: -69.681
tors. eta vs tors. theta energy: -102.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -1349.975929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.975929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.975929 (E_RNA)
where:
Base-Base interactions energy: -924.316
where: short stacking energy: -395.847
Base-Backbone interact. energy: -0.731
local terms energy: -424.928706
where:
bonds (distance) C4'-P energy: -96.586
bonds (distance) P-C4' energy: -81.069
flat angles C4'-P-C4' energy: -90.308
flat angles P-C4'-P energy: -69.343
tors. eta vs tors. theta energy: -87.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -1232.514028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.514028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.514028 (E_RNA)
where:
Base-Base interactions energy: -831.905
where: short stacking energy: -341.279
Base-Backbone interact. energy: 0.183
local terms energy: -400.791945
where:
bonds (distance) C4'-P energy: -87.593
bonds (distance) P-C4' energy: -90.794
flat angles C4'-P-C4' energy: -91.431
flat angles P-C4'-P energy: -48.676
tors. eta vs tors. theta energy: -82.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -1028.310708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1028.310708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1028.310708 (E_RNA)
where:
Base-Base interactions energy: -698.093
where: short stacking energy: -303.596
Base-Backbone interact. energy: -2.055
local terms energy: -328.162504
where:
bonds (distance) C4'-P energy: -82.405
bonds (distance) P-C4' energy: -68.122
flat angles C4'-P-C4' energy: -88.143
flat angles P-C4'-P energy: -42.957
tors. eta vs tors. theta energy: -46.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -1000.028095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1000.028095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1000.028095 (E_RNA)
where:
Base-Base interactions energy: -643.332
where: short stacking energy: -289.451
Base-Backbone interact. energy: -0.291
local terms energy: -356.404884
where:
bonds (distance) C4'-P energy: -83.743
bonds (distance) P-C4' energy: -83.097
flat angles C4'-P-C4' energy: -86.844
flat angles P-C4'-P energy: -45.476
tors. eta vs tors. theta energy: -57.246
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: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -1967.064507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.064507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.064507 (E_RNA)
where:
Base-Base interactions energy: -1410.633
where: short stacking energy: -560.529
Base-Backbone interact. energy: -2.526
local terms energy: -553.905891
where:
bonds (distance) C4'-P energy: -92.696
bonds (distance) P-C4' energy: -106.756
flat angles C4'-P-C4' energy: -120.084
flat angles P-C4'-P energy: -77.897
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: 2, replica: 1
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -1876.575580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.575580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.575580 (E_RNA)
where:
Base-Base interactions energy: -1333.111
where: short stacking energy: -534.317
Base-Backbone interact. energy: 0.012
local terms energy: -543.476395
where:
bonds (distance) C4'-P energy: -99.390
bonds (distance) P-C4' energy: -97.525
flat angles C4'-P-C4' energy: -123.088
flat angles P-C4'-P energy: -75.581
tors. eta vs tors. theta energy: -147.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -1773.495539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.495539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.495539 (E_RNA)
where:
Base-Base interactions energy: -1244.415
where: short stacking energy: -508.264
Base-Backbone interact. energy: -0.754
local terms energy: -528.325998
where:
bonds (distance) C4'-P energy: -97.125
bonds (distance) P-C4' energy: -104.836
flat angles C4'-P-C4' energy: -114.428
flat angles P-C4'-P energy: -79.369
tors. eta vs tors. theta energy: -132.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -1772.022914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.022914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.022914 (E_RNA)
where:
Base-Base interactions energy: -1257.967
where: short stacking energy: -505.099
Base-Backbone interact. energy: -2.254
local terms energy: -511.801943
where:
bonds (distance) C4'-P energy: -99.315
bonds (distance) P-C4' energy: -91.463
flat angles C4'-P-C4' energy: -110.369
flat angles P-C4'-P energy: -74.210
tors. eta vs tors. theta energy: -136.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -1679.730752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.730752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.730752 (E_RNA)
where:
Base-Base interactions energy: -1177.428
where: short stacking energy: -466.078
Base-Backbone interact. energy: -1.735
local terms energy: -500.567986
where:
bonds (distance) C4'-P energy: -82.451
bonds (distance) P-C4' energy: -101.296
flat angles C4'-P-C4' energy: -112.970
flat angles P-C4'-P energy: -75.882
tors. eta vs tors. theta energy: -127.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -1492.135247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.135247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.135247 (E_RNA)
where:
Base-Base interactions energy: -1028.935
where: short stacking energy: -424.590
Base-Backbone interact. energy: -1.960
local terms energy: -461.240575
where:
bonds (distance) C4'-P energy: -91.033
bonds (distance) P-C4' energy: -100.690
flat angles C4'-P-C4' energy: -110.411
flat angles P-C4'-P energy: -52.536
tors. eta vs tors. theta energy: -106.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -1317.995555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.995555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.995555 (E_RNA)
where:
Base-Base interactions energy: -888.785
where: short stacking energy: -384.237
Base-Backbone interact. energy: 0.195
local terms energy: -429.405689
where:
bonds (distance) C4'-P energy: -92.931
bonds (distance) P-C4' energy: -90.186
flat angles C4'-P-C4' energy: -111.912
flat angles P-C4'-P energy: -51.585
tors. eta vs tors. theta energy: -82.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -1241.799635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.799635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.799635 (E_RNA)
where:
Base-Base interactions energy: -828.883
where: short stacking energy: -357.958
Base-Backbone interact. energy: 1.626
local terms energy: -414.542657
where:
bonds (distance) C4'-P energy: -86.695
bonds (distance) P-C4' energy: -85.719
flat angles C4'-P-C4' energy: -97.182
flat angles P-C4'-P energy: -63.873
tors. eta vs tors. theta energy: -81.074
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: 231
Temperature: 1.300000
Total energy: -1099.922432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1099.922432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1099.922432 (E_RNA)
where:
Base-Base interactions energy: -738.430
where: short stacking energy: -302.172
Base-Backbone interact. energy: 0.514
local terms energy: -362.006640
where:
bonds (distance) C4'-P energy: -83.907
bonds (distance) P-C4' energy: -95.548
flat angles C4'-P-C4' energy: -86.711
flat angles P-C4'-P energy: -40.362
tors. eta vs tors. theta energy: -55.478
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: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -994.853743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -994.853743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -994.853743 (E_RNA)
where:
Base-Base interactions energy: -680.708
where: short stacking energy: -302.921
Base-Backbone interact. energy: -1.648
local terms energy: -312.496951
where:
bonds (distance) C4'-P energy: -59.728
bonds (distance) P-C4' energy: -87.475
flat angles C4'-P-C4' energy: -80.167
flat angles P-C4'-P energy: -38.748
tors. eta vs tors. theta energy: -46.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -1968.377937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.377937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.377937 (E_RNA)
where:
Base-Base interactions energy: -1396.717
where: short stacking energy: -579.239
Base-Backbone interact. energy: -1.078
local terms energy: -570.582730
where:
bonds (distance) C4'-P energy: -103.986
bonds (distance) P-C4' energy: -115.272
flat angles C4'-P-C4' energy: -107.327
flat angles P-C4'-P energy: -81.461
tors. eta vs tors. theta energy: -162.538
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: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -1863.060985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.060985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.060985 (E_RNA)
where:
Base-Base interactions energy: -1315.850
where: short stacking energy: -537.713
Base-Backbone interact. energy: 2.317
local terms energy: -549.527195
where:
bonds (distance) C4'-P energy: -100.150
bonds (distance) P-C4' energy: -102.501
flat angles C4'-P-C4' energy: -109.048
flat angles P-C4'-P energy: -86.121
tors. eta vs tors. theta energy: -151.707
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: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -1790.917139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.917139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.917139 (E_RNA)
where:
Base-Base interactions energy: -1273.899
where: short stacking energy: -538.482
Base-Backbone interact. energy: -3.102
local terms energy: -513.915683
where:
bonds (distance) C4'-P energy: -82.679
bonds (distance) P-C4' energy: -100.088
flat angles C4'-P-C4' energy: -105.193
flat angles P-C4'-P energy: -79.038
tors. eta vs tors. theta energy: -146.918
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: 8
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -1742.311759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.311759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.311759 (E_RNA)
where:
Base-Base interactions energy: -1203.725
where: short stacking energy: -506.018
Base-Backbone interact. energy: -1.698
local terms energy: -536.888755
where:
bonds (distance) C4'-P energy: -99.280
bonds (distance) P-C4' energy: -111.200
flat angles C4'-P-C4' energy: -107.892
flat angles P-C4'-P energy: -72.827
tors. eta vs tors. theta energy: -145.690
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: 5, replica: 3
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -1667.114086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.114086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.114086 (E_RNA)
where:
Base-Base interactions energy: -1170.875
where: short stacking energy: -463.850
Base-Backbone interact. energy: 1.672
local terms energy: -497.911785
where:
bonds (distance) C4'-P energy: -91.754
bonds (distance) P-C4' energy: -101.991
flat angles C4'-P-C4' energy: -104.098
flat angles P-C4'-P energy: -73.845
tors. eta vs tors. theta energy: -126.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -1409.086541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.086541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.086541 (E_RNA)
where:
Base-Base interactions energy: -945.159
where: short stacking energy: -417.844
Base-Backbone interact. energy: -1.362
local terms energy: -462.565724
where:
bonds (distance) C4'-P energy: -100.432
bonds (distance) P-C4' energy: -90.708
flat angles C4'-P-C4' energy: -104.121
flat angles P-C4'-P energy: -54.069
tors. eta vs tors. theta energy: -113.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -1369.855651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.855651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.855651 (E_RNA)
where:
Base-Base interactions energy: -923.719
where: short stacking energy: -376.179
Base-Backbone interact. energy: 2.404
local terms energy: -448.540450
where:
bonds (distance) C4'-P energy: -91.141
bonds (distance) P-C4' energy: -100.630
flat angles C4'-P-C4' energy: -96.071
flat angles P-C4'-P energy: -59.925
tors. eta vs tors. theta energy: -100.774
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: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -1179.231985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1179.231985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1179.231985 (E_RNA)
where:
Base-Base interactions energy: -801.504
where: short stacking energy: -359.161
Base-Backbone interact. energy: -2.053
local terms energy: -375.674759
where:
bonds (distance) C4'-P energy: -72.869
bonds (distance) P-C4' energy: -75.342
flat angles C4'-P-C4' energy: -90.865
flat angles P-C4'-P energy: -50.685
tors. eta vs tors. theta energy: -85.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -1062.560423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.560423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.560423 (E_RNA)
where:
Base-Base interactions energy: -699.190
where: short stacking energy: -310.714
Base-Backbone interact. energy: -1.946
local terms energy: -361.424392
where:
bonds (distance) C4'-P energy: -86.227
bonds (distance) P-C4' energy: -83.178
flat angles C4'-P-C4' energy: -101.218
flat angles P-C4'-P energy: -33.935
tors. eta vs tors. theta energy: -56.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -985.343383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -985.343383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -985.343383 (E_RNA)
where:
Base-Base interactions energy: -648.768
where: short stacking energy: -277.997
Base-Backbone interact. energy: 4.452
local terms energy: -341.027123
where:
bonds (distance) C4'-P energy: -80.437
bonds (distance) P-C4' energy: -67.498
flat angles C4'-P-C4' energy: -85.374
flat angles P-C4'-P energy: -49.522
tors. eta vs tors. theta energy: -58.196
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: 4
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -1953.096890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.096890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.096890 (E_RNA)
where:
Base-Base interactions energy: -1385.066
where: short stacking energy: -559.689
Base-Backbone interact. energy: -2.942
local terms energy: -565.088473
where:
bonds (distance) C4'-P energy: -111.420
bonds (distance) P-C4' energy: -91.691
flat angles C4'-P-C4' energy: -121.445
flat angles P-C4'-P energy: -77.150
tors. eta vs tors. theta energy: -163.382
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: 233
Temperature: 0.950000
Total energy: -1862.140014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.140014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.140014 (E_RNA)
where:
Base-Base interactions energy: -1346.859
where: short stacking energy: -545.066
Base-Backbone interact. energy: -2.203
local terms energy: -513.078266
where:
bonds (distance) C4'-P energy: -96.437
bonds (distance) P-C4' energy: -93.651
flat angles C4'-P-C4' energy: -109.638
flat angles P-C4'-P energy: -70.197
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: 3, replica: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -1795.604866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.604866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.604866 (E_RNA)
where:
Base-Base interactions energy: -1290.193
where: short stacking energy: -527.230
Base-Backbone interact. energy: -1.388
local terms energy: -504.023929
where:
bonds (distance) C4'-P energy: -89.545
bonds (distance) P-C4' energy: -94.581
flat angles C4'-P-C4' energy: -105.759
flat angles P-C4'-P energy: -67.018
tors. eta vs tors. theta energy: -147.122
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: 8
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -1767.557281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.557281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.557281 (E_RNA)
where:
Base-Base interactions energy: -1245.982
where: short stacking energy: -523.692
Base-Backbone interact. energy: -3.275
local terms energy: -518.299962
where:
bonds (distance) C4'-P energy: -84.089
bonds (distance) P-C4' energy: -107.004
flat angles C4'-P-C4' energy: -107.791
flat angles P-C4'-P energy: -67.125
tors. eta vs tors. theta energy: -152.291
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: 3
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -1611.357649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.357649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.357649 (E_RNA)
where:
Base-Base interactions energy: -1160.628
where: short stacking energy: -477.305
Base-Backbone interact. energy: -1.215
local terms energy: -449.514167
where:
bonds (distance) C4'-P energy: -91.171
bonds (distance) P-C4' energy: -76.952
flat angles C4'-P-C4' energy: -103.703
flat angles P-C4'-P energy: -59.955
tors. eta vs tors. theta energy: -117.733
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: 6, replica: 9
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -1347.458173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.458173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.458173 (E_RNA)
where:
Base-Base interactions energy: -878.813
where: short stacking energy: -386.172
Base-Backbone interact. energy: -2.980
local terms energy: -465.665376
where:
bonds (distance) C4'-P energy: -89.975
bonds (distance) P-C4' energy: -103.927
flat angles C4'-P-C4' energy: -98.363
flat angles P-C4'-P energy: -75.008
tors. eta vs tors. theta energy: -98.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -1392.107727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.107727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.107727 (E_RNA)
where:
Base-Base interactions energy: -971.207
where: short stacking energy: -428.310
Base-Backbone interact. energy: -1.408
local terms energy: -419.492417
where:
bonds (distance) C4'-P energy: -68.233
bonds (distance) P-C4' energy: -97.335
flat angles C4'-P-C4' energy: -101.608
flat angles P-C4'-P energy: -53.435
tors. eta vs tors. theta energy: -98.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -1225.405323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.405323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.405323 (E_RNA)
where:
Base-Base interactions energy: -837.160
where: short stacking energy: -353.449
Base-Backbone interact. energy: -0.746
local terms energy: -387.499385
where:
bonds (distance) C4'-P energy: -77.738
bonds (distance) P-C4' energy: -93.373
flat angles C4'-P-C4' energy: -100.437
flat angles P-C4'-P energy: -47.941
tors. eta vs tors. theta energy: -68.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -1036.390931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1036.390931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1036.390931 (E_RNA)
where:
Base-Base interactions energy: -652.370
where: short stacking energy: -284.327
Base-Backbone interact. energy: 1.521
local terms energy: -385.541716
where:
bonds (distance) C4'-P energy: -84.588
bonds (distance) P-C4' energy: -95.234
flat angles C4'-P-C4' energy: -84.162
flat angles P-C4'-P energy: -56.187
tors. eta vs tors. theta energy: -65.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -992.614667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -992.614667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -992.614667 (E_RNA)
where:
Base-Base interactions energy: -655.948
where: short stacking energy: -279.653
Base-Backbone interact. energy: -2.339
local terms energy: -334.327886
where:
bonds (distance) C4'-P energy: -75.293
bonds (distance) P-C4' energy: -79.427
flat angles C4'-P-C4' energy: -75.661
flat angles P-C4'-P energy: -54.736
tors. eta vs tors. theta energy: -49.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -1941.596322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.596322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.596322 (E_RNA)
where:
Base-Base interactions energy: -1367.106
where: short stacking energy: -550.970
Base-Backbone interact. energy: -5.316
local terms energy: -569.174625
where:
bonds (distance) C4'-P energy: -100.256
bonds (distance) P-C4' energy: -116.089
flat angles C4'-P-C4' energy: -116.948
flat angles P-C4'-P energy: -86.587
tors. eta vs tors. theta energy: -149.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -1866.075253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.075253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.075253 (E_RNA)
where:
Base-Base interactions energy: -1325.843
where: short stacking energy: -537.300
Base-Backbone interact. energy: -2.072
local terms energy: -538.160793
where:
bonds (distance) C4'-P energy: -112.066
bonds (distance) P-C4' energy: -100.763
flat angles C4'-P-C4' energy: -112.460
flat angles P-C4'-P energy: -68.780
tors. eta vs tors. theta energy: -144.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -1809.516495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.516495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.516495 (E_RNA)
where:
Base-Base interactions energy: -1287.417
where: short stacking energy: -541.030
Base-Backbone interact. energy: -3.897
local terms energy: -518.202383
where:
bonds (distance) C4'-P energy: -82.918
bonds (distance) P-C4' energy: -87.806
flat angles C4'-P-C4' energy: -118.739
flat angles P-C4'-P energy: -79.127
tors. eta vs tors. theta energy: -149.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -1737.611783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.611783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.611783 (E_RNA)
where:
Base-Base interactions energy: -1239.465
where: short stacking energy: -489.407
Base-Backbone interact. energy: -0.061
local terms energy: -498.086176
where:
bonds (distance) C4'-P energy: -93.600
bonds (distance) P-C4' energy: -95.082
flat angles C4'-P-C4' energy: -104.753
flat angles P-C4'-P energy: -76.644
tors. eta vs tors. theta energy: -128.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -1659.112090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1659.112090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1659.112090 (E_RNA)
where:
Base-Base interactions energy: -1167.777
where: short stacking energy: -463.000
Base-Backbone interact. energy: 2.276
local terms energy: -493.610867
where:
bonds (distance) C4'-P energy: -97.625
bonds (distance) P-C4' energy: -93.496
flat angles C4'-P-C4' energy: -113.653
flat angles P-C4'-P energy: -68.578
tors. eta vs tors. theta energy: -120.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -1388.814082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.814082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.814082 (E_RNA)
where:
Base-Base interactions energy: -952.500
where: short stacking energy: -398.628
Base-Backbone interact. energy: -1.099
local terms energy: -435.215873
where:
bonds (distance) C4'-P energy: -90.558
bonds (distance) P-C4' energy: -90.562
flat angles C4'-P-C4' energy: -90.296
flat angles P-C4'-P energy: -57.141
tors. eta vs tors. theta energy: -106.660
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: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -1427.487087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.487087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.487087 (E_RNA)
where:
Base-Base interactions energy: -984.541
where: short stacking energy: -438.421
Base-Backbone interact. energy: -0.993
local terms energy: -441.953984
where:
bonds (distance) C4'-P energy: -83.942
bonds (distance) P-C4' energy: -85.221
flat angles C4'-P-C4' energy: -113.109
flat angles P-C4'-P energy: -67.072
tors. eta vs tors. theta energy: -92.610
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: 5
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -1154.370963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.370963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.370963 (E_RNA)
where:
Base-Base interactions energy: -749.147
where: short stacking energy: -312.676
Base-Backbone interact. energy: -1.310
local terms energy: -403.913501
where:
bonds (distance) C4'-P energy: -89.388
bonds (distance) P-C4' energy: -91.713
flat angles C4'-P-C4' energy: -95.877
flat angles P-C4'-P energy: -51.626
tors. eta vs tors. theta energy: -75.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -1024.353242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.353242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.353242 (E_RNA)
where:
Base-Base interactions energy: -660.380
where: short stacking energy: -288.476
Base-Backbone interact. energy: 4.891
local terms energy: -368.863725
where:
bonds (distance) C4'-P energy: -91.218
bonds (distance) P-C4' energy: -94.614
flat angles C4'-P-C4' energy: -82.551
flat angles P-C4'-P energy: -47.351
tors. eta vs tors. theta energy: -53.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -971.518135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -971.518135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -971.518135 (E_RNA)
where:
Base-Base interactions energy: -622.440
where: short stacking energy: -267.990
Base-Backbone interact. energy: -1.141
local terms energy: -347.937695
where:
bonds (distance) C4'-P energy: -64.352
bonds (distance) P-C4' energy: -90.460
flat angles C4'-P-C4' energy: -92.591
flat angles P-C4'-P energy: -48.838
tors. eta vs tors. theta energy: -51.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -1934.686606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.686606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.686606 (E_RNA)
where:
Base-Base interactions energy: -1359.952
where: short stacking energy: -573.823
Base-Backbone interact. energy: -0.619
local terms energy: -574.115112
where:
bonds (distance) C4'-P energy: -97.990
bonds (distance) P-C4' energy: -106.438
flat angles C4'-P-C4' energy: -121.030
flat angles P-C4'-P energy: -85.151
tors. eta vs tors. theta energy: -163.507
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: 2
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -1848.121673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.121673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.121673 (E_RNA)
where:
Base-Base interactions energy: -1293.479
where: short stacking energy: -554.912
Base-Backbone interact. energy: -3.588
local terms energy: -551.055392
where:
bonds (distance) C4'-P energy: -95.322
bonds (distance) P-C4' energy: -96.937
flat angles C4'-P-C4' energy: -117.591
flat angles P-C4'-P energy: -88.286
tors. eta vs tors. theta energy: -152.918
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: 1
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -1865.251014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.251014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.251014 (E_RNA)
where:
Base-Base interactions energy: -1309.652
where: short stacking energy: -529.812
Base-Backbone interact. energy: -2.304
local terms energy: -553.294982
where:
bonds (distance) C4'-P energy: -102.969
bonds (distance) P-C4' energy: -113.140
flat angles C4'-P-C4' energy: -110.237
flat angles P-C4'-P energy: -72.243
tors. eta vs tors. theta energy: -154.706
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: 8
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -1737.863112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.863112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.863112 (E_RNA)
where:
Base-Base interactions energy: -1235.824
where: short stacking energy: -501.621
Base-Backbone interact. energy: 2.177
local terms energy: -504.216388
where:
bonds (distance) C4'-P energy: -91.789
bonds (distance) P-C4' energy: -93.213
flat angles C4'-P-C4' energy: -107.619
flat angles P-C4'-P energy: -73.896
tors. eta vs tors. theta energy: -137.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -1638.710251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.710251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.710251 (E_RNA)
where:
Base-Base interactions energy: -1146.200
where: short stacking energy: -491.395
Base-Backbone interact. energy: -3.126
local terms energy: -489.383992
where:
bonds (distance) C4'-P energy: -83.265
bonds (distance) P-C4' energy: -107.255
flat angles C4'-P-C4' energy: -100.492
flat angles P-C4'-P energy: -68.439
tors. eta vs tors. theta energy: -129.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -1439.844580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.844580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.844580 (E_RNA)
where:
Base-Base interactions energy: -984.777
where: short stacking energy: -410.367
Base-Backbone interact. energy: -0.661
local terms energy: -454.406263
where:
bonds (distance) C4'-P energy: -87.901
bonds (distance) P-C4' energy: -92.640
flat angles C4'-P-C4' energy: -100.281
flat angles P-C4'-P energy: -68.904
tors. eta vs tors. theta energy: -104.680
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: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -1312.323632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.323632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.323632 (E_RNA)
where:
Base-Base interactions energy: -898.633
where: short stacking energy: -374.765
Base-Backbone interact. energy: -2.316
local terms energy: -411.374762
where:
bonds (distance) C4'-P energy: -92.029
bonds (distance) P-C4' energy: -82.372
flat angles C4'-P-C4' energy: -97.017
flat angles P-C4'-P energy: -52.290
tors. eta vs tors. theta energy: -87.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -1146.677235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.677235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.677235 (E_RNA)
where:
Base-Base interactions energy: -782.128
where: short stacking energy: -334.712
Base-Backbone interact. energy: -3.122
local terms energy: -361.427652
where:
bonds (distance) C4'-P energy: -80.124
bonds (distance) P-C4' energy: -87.546
flat angles C4'-P-C4' energy: -84.166
flat angles P-C4'-P energy: -53.170
tors. eta vs tors. theta energy: -56.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -1067.309482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1067.309482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1067.309482 (E_RNA)
where:
Base-Base interactions energy: -715.703
where: short stacking energy: -297.532
Base-Backbone interact. energy: -1.016
local terms energy: -350.591223
where:
bonds (distance) C4'-P energy: -82.816
bonds (distance) P-C4' energy: -76.907
flat angles C4'-P-C4' energy: -98.287
flat angles P-C4'-P energy: -50.618
tors. eta vs tors. theta energy: -41.963
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: 10, replica: 10
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -883.046255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -883.046255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -883.046255 (E_RNA)
where:
Base-Base interactions energy: -534.761
where: short stacking energy: -238.920
Base-Backbone interact. energy: 3.000
local terms energy: -351.285268
where:
bonds (distance) C4'-P energy: -97.225
bonds (distance) P-C4' energy: -95.468
flat angles C4'-P-C4' energy: -80.836
flat angles P-C4'-P energy: -41.660
tors. eta vs tors. theta energy: -36.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -1944.312121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.312121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.312121 (E_RNA)
where:
Base-Base interactions energy: -1383.608
where: short stacking energy: -559.789
Base-Backbone interact. energy: -1.796
local terms energy: -558.907823
where:
bonds (distance) C4'-P energy: -102.163
bonds (distance) P-C4' energy: -104.678
flat angles C4'-P-C4' energy: -118.591
flat angles P-C4'-P energy: -80.028
tors. eta vs tors. theta energy: -153.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -1832.281334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.281334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.281334 (E_RNA)
where:
Base-Base interactions energy: -1300.549
where: short stacking energy: -547.104
Base-Backbone interact. energy: -2.461
local terms energy: -529.271876
where:
bonds (distance) C4'-P energy: -82.502
bonds (distance) P-C4' energy: -104.255
flat angles C4'-P-C4' energy: -116.823
flat angles P-C4'-P energy: -74.719
tors. eta vs tors. theta energy: -150.973
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: 236
Temperature: 1.000000
Total energy: -1856.772834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.772834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.772834 (E_RNA)
where:
Base-Base interactions energy: -1329.379
where: short stacking energy: -539.224
Base-Backbone interact. energy: 4.836
local terms energy: -532.229332
where:
bonds (distance) C4'-P energy: -92.848
bonds (distance) P-C4' energy: -95.078
flat angles C4'-P-C4' energy: -127.551
flat angles P-C4'-P energy: -69.731
tors. eta vs tors. theta energy: -147.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -1766.497271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.497271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.497271 (E_RNA)
where:
Base-Base interactions energy: -1243.443
where: short stacking energy: -501.204
Base-Backbone interact. energy: -1.941
local terms energy: -521.112534
where:
bonds (distance) C4'-P energy: -94.306
bonds (distance) P-C4' energy: -92.784
flat angles C4'-P-C4' energy: -110.241
flat angles P-C4'-P energy: -80.054
tors. eta vs tors. theta energy: -143.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -1646.292991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.292991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.292991 (E_RNA)
where:
Base-Base interactions energy: -1160.761
where: short stacking energy: -477.603
Base-Backbone interact. energy: 1.278
local terms energy: -486.809925
where:
bonds (distance) C4'-P energy: -88.108
bonds (distance) P-C4' energy: -92.391
flat angles C4'-P-C4' energy: -111.693
flat angles P-C4'-P energy: -68.272
tors. eta vs tors. theta energy: -126.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -1467.885623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1467.885623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1467.885623 (E_RNA)
where:
Base-Base interactions energy: -1021.630
where: short stacking energy: -410.109
Base-Backbone interact. energy: -3.221
local terms energy: -443.035229
where:
bonds (distance) C4'-P energy: -88.105
bonds (distance) P-C4' energy: -84.209
flat angles C4'-P-C4' energy: -97.793
flat angles P-C4'-P energy: -72.634
tors. eta vs tors. theta energy: -100.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -1294.221633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.221633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.221633 (E_RNA)
where:
Base-Base interactions energy: -883.735
where: short stacking energy: -366.546
Base-Backbone interact. energy: -1.367
local terms energy: -409.120200
where:
bonds (distance) C4'-P energy: -89.274
bonds (distance) P-C4' energy: -88.460
flat angles C4'-P-C4' energy: -90.711
flat angles P-C4'-P energy: -53.251
tors. eta vs tors. theta energy: -87.424
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: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -1148.051386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.051386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.051386 (E_RNA)
where:
Base-Base interactions energy: -762.854
where: short stacking energy: -333.855
Base-Backbone interact. energy: 1.561
local terms energy: -386.758662
where:
bonds (distance) C4'-P energy: -81.930
bonds (distance) P-C4' energy: -84.005
flat angles C4'-P-C4' energy: -93.647
flat angles P-C4'-P energy: -61.735
tors. eta vs tors. theta energy: -65.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -1035.927424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.927424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.927424 (E_RNA)
where:
Base-Base interactions energy: -666.899
where: short stacking energy: -278.747
Base-Backbone interact. energy: 3.729
local terms energy: -372.758054
where:
bonds (distance) C4'-P energy: -89.495
bonds (distance) P-C4' energy: -83.375
flat angles C4'-P-C4' energy: -100.215
flat angles P-C4'-P energy: -47.618
tors. eta vs tors. theta energy: -52.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -874.648820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.648820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.648820 (E_RNA)
where:
Base-Base interactions energy: -555.784
where: short stacking energy: -266.312
Base-Backbone interact. energy: -0.031
local terms energy: -318.833617
where:
bonds (distance) C4'-P energy: -65.785
bonds (distance) P-C4' energy: -87.553
flat angles C4'-P-C4' energy: -85.070
flat angles P-C4'-P energy: -45.704
tors. eta vs tors. theta energy: -34.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -1935.393190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.393190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.393190 (E_RNA)
where:
Base-Base interactions energy: -1375.777
where: short stacking energy: -555.275
Base-Backbone interact. energy: -0.698
local terms energy: -558.917991
where:
bonds (distance) C4'-P energy: -108.846
bonds (distance) P-C4' energy: -98.881
flat angles C4'-P-C4' energy: -119.657
flat angles P-C4'-P energy: -81.525
tors. eta vs tors. theta energy: -150.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -1854.991093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.991093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.991093 (E_RNA)
where:
Base-Base interactions energy: -1312.911
where: short stacking energy: -539.012
Base-Backbone interact. energy: -0.060
local terms energy: -542.019948
where:
bonds (distance) C4'-P energy: -96.915
bonds (distance) P-C4' energy: -103.873
flat angles C4'-P-C4' energy: -119.882
flat angles P-C4'-P energy: -72.894
tors. eta vs tors. theta energy: -148.457
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: 1
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -1827.561276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.561276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.561276 (E_RNA)
where:
Base-Base interactions energy: -1295.056
where: short stacking energy: -519.375
Base-Backbone interact. energy: -2.825
local terms energy: -529.680483
where:
bonds (distance) C4'-P energy: -95.921
bonds (distance) P-C4' energy: -102.518
flat angles C4'-P-C4' energy: -107.029
flat angles P-C4'-P energy: -79.899
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: 4, replica: 8
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -1743.544157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.544157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.544157 (E_RNA)
where:
Base-Base interactions energy: -1237.033
where: short stacking energy: -528.192
Base-Backbone interact. energy: -3.013
local terms energy: -503.497918
where:
bonds (distance) C4'-P energy: -85.891
bonds (distance) P-C4' energy: -88.619
flat angles C4'-P-C4' energy: -114.765
flat angles P-C4'-P energy: -67.572
tors. eta vs tors. theta energy: -146.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -1650.009503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.009503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.009503 (E_RNA)
where:
Base-Base interactions energy: -1172.749
where: short stacking energy: -496.067
Base-Backbone interact. energy: -0.361
local terms energy: -476.899077
where:
bonds (distance) C4'-P energy: -72.527
bonds (distance) P-C4' energy: -96.287
flat angles C4'-P-C4' energy: -107.122
flat angles P-C4'-P energy: -72.847
tors. eta vs tors. theta energy: -128.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -1427.195507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.195507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.195507 (E_RNA)
where:
Base-Base interactions energy: -971.723
where: short stacking energy: -401.222
Base-Backbone interact. energy: -5.449
local terms energy: -450.023581
where:
bonds (distance) C4'-P energy: -83.623
bonds (distance) P-C4' energy: -101.345
flat angles C4'-P-C4' energy: -111.453
flat angles P-C4'-P energy: -57.102
tors. eta vs tors. theta energy: -96.500
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: 7, replica: 9
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -1352.781572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.781572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.781572 (E_RNA)
where:
Base-Base interactions energy: -914.876
where: short stacking energy: -404.702
Base-Backbone interact. energy: -1.370
local terms energy: -436.536047
where:
bonds (distance) C4'-P energy: -82.139
bonds (distance) P-C4' energy: -89.663
flat angles C4'-P-C4' energy: -103.402
flat angles P-C4'-P energy: -64.195
tors. eta vs tors. theta energy: -97.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -1175.922384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.922384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.922384 (E_RNA)
where:
Base-Base interactions energy: -786.973
where: short stacking energy: -338.691
Base-Backbone interact. energy: -0.461
local terms energy: -388.489277
where:
bonds (distance) C4'-P energy: -79.428
bonds (distance) P-C4' energy: -97.358
flat angles C4'-P-C4' energy: -96.998
flat angles P-C4'-P energy: -53.809
tors. eta vs tors. theta energy: -60.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -1073.463149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.463149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.463149 (E_RNA)
where:
Base-Base interactions energy: -688.341
where: short stacking energy: -297.272
Base-Backbone interact. energy: -0.807
local terms energy: -384.316101
where:
bonds (distance) C4'-P energy: -91.288
bonds (distance) P-C4' energy: -84.307
flat angles C4'-P-C4' energy: -93.353
flat angles P-C4'-P energy: -51.670
tors. eta vs tors. theta energy: -63.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -845.946544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -845.946544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -845.946544 (E_RNA)
where:
Base-Base interactions energy: -511.409
where: short stacking energy: -238.609
Base-Backbone interact. energy: 5.682
local terms energy: -340.219796
where:
bonds (distance) C4'-P energy: -81.380
bonds (distance) P-C4' energy: -107.006
flat angles C4'-P-C4' energy: -77.139
flat angles P-C4'-P energy: -44.076
tors. eta vs tors. theta energy: -30.619
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: 4
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -1932.924329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.924329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.924329 (E_RNA)
where:
Base-Base interactions energy: -1381.734
where: short stacking energy: -585.761
Base-Backbone interact. energy: 1.040
local terms energy: -552.230133
where:
bonds (distance) C4'-P energy: -102.911
bonds (distance) P-C4' energy: -95.799
flat angles C4'-P-C4' energy: -117.280
flat angles P-C4'-P energy: -80.542
tors. eta vs tors. theta energy: -155.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -1870.535672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.535672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.535672 (E_RNA)
where:
Base-Base interactions energy: -1330.056
where: short stacking energy: -535.476
Base-Backbone interact. energy: 1.048
local terms energy: -541.526834
where:
bonds (distance) C4'-P energy: -92.248
bonds (distance) P-C4' energy: -105.487
flat angles C4'-P-C4' energy: -111.812
flat angles P-C4'-P energy: -89.592
tors. eta vs tors. theta energy: -142.389
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: 8
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -1772.455112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.455112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.455112 (E_RNA)
where:
Base-Base interactions energy: -1272.876
where: short stacking energy: -530.244
Base-Backbone interact. energy: 0.352
local terms energy: -499.931337
where:
bonds (distance) C4'-P energy: -68.292
bonds (distance) P-C4' energy: -99.937
flat angles C4'-P-C4' energy: -100.344
flat angles P-C4'-P energy: -80.585
tors. eta vs tors. theta energy: -150.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -1802.189677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.189677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.189677 (E_RNA)
where:
Base-Base interactions energy: -1281.914
where: short stacking energy: -522.603
Base-Backbone interact. energy: 1.941
local terms energy: -522.216566
where:
bonds (distance) C4'-P energy: -97.996
bonds (distance) P-C4' energy: -98.860
flat angles C4'-P-C4' energy: -106.541
flat angles P-C4'-P energy: -72.045
tors. eta vs tors. theta energy: -146.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -1644.129305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.129305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.129305 (E_RNA)
where:
Base-Base interactions energy: -1168.431
where: short stacking energy: -469.922
Base-Backbone interact. energy: 1.678
local terms energy: -477.376036
where:
bonds (distance) C4'-P energy: -95.494
bonds (distance) P-C4' energy: -92.391
flat angles C4'-P-C4' energy: -106.432
flat angles P-C4'-P energy: -59.487
tors. eta vs tors. theta energy: -123.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -1394.723883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.723883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.723883 (E_RNA)
where:
Base-Base interactions energy: -959.119
where: short stacking energy: -392.589
Base-Backbone interact. energy: -0.024
local terms energy: -435.580821
where:
bonds (distance) C4'-P energy: -89.053
bonds (distance) P-C4' energy: -83.265
flat angles C4'-P-C4' energy: -96.427
flat angles P-C4'-P energy: -78.186
tors. eta vs tors. theta energy: -88.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -1292.687936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.687936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.687936 (E_RNA)
where:
Base-Base interactions energy: -881.895
where: short stacking energy: -386.392
Base-Backbone interact. energy: -2.103
local terms energy: -408.689493
where:
bonds (distance) C4'-P energy: -72.012
bonds (distance) P-C4' energy: -97.906
flat angles C4'-P-C4' energy: -88.721
flat angles P-C4'-P energy: -62.725
tors. eta vs tors. theta energy: -87.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -1161.731380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.731380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.731380 (E_RNA)
where:
Base-Base interactions energy: -796.750
where: short stacking energy: -349.303
Base-Backbone interact. energy: 3.912
local terms energy: -368.893387
where:
bonds (distance) C4'-P energy: -75.720
bonds (distance) P-C4' energy: -86.715
flat angles C4'-P-C4' energy: -80.226
flat angles P-C4'-P energy: -61.077
tors. eta vs tors. theta energy: -65.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -1073.295776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.295776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.295776 (E_RNA)
where:
Base-Base interactions energy: -702.518
where: short stacking energy: -308.802
Base-Backbone interact. energy: -1.078
local terms energy: -369.700127
where:
bonds (distance) C4'-P energy: -80.599
bonds (distance) P-C4' energy: -88.222
flat angles C4'-P-C4' energy: -89.148
flat angles P-C4'-P energy: -58.136
tors. eta vs tors. theta energy: -53.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -822.494047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.494047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.494047 (E_RNA)
where:
Base-Base interactions energy: -519.040
where: short stacking energy: -266.440
Base-Backbone interact. energy: 1.938
local terms energy: -305.392303
where:
bonds (distance) C4'-P energy: -79.153
bonds (distance) P-C4' energy: -84.734
flat angles C4'-P-C4' energy: -67.102
flat angles P-C4'-P energy: -39.592
tors. eta vs tors. theta energy: -34.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -1947.131673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.131673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.131673 (E_RNA)
where:
Base-Base interactions energy: -1363.528
where: short stacking energy: -561.942
Base-Backbone interact. energy: -2.425
local terms energy: -581.179106
where:
bonds (distance) C4'-P energy: -98.847
bonds (distance) P-C4' energy: -108.251
flat angles C4'-P-C4' energy: -123.242
flat angles P-C4'-P energy: -93.426
tors. eta vs tors. theta energy: -157.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -1822.383437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.383437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.383437 (E_RNA)
where:
Base-Base interactions energy: -1296.115
where: short stacking energy: -542.100
Base-Backbone interact. energy: -2.628
local terms energy: -523.639817
where:
bonds (distance) C4'-P energy: -97.655
bonds (distance) P-C4' energy: -95.757
flat angles C4'-P-C4' energy: -114.830
flat angles P-C4'-P energy: -66.810
tors. eta vs tors. theta energy: -148.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -1808.768569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.768569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.768569 (E_RNA)
where:
Base-Base interactions energy: -1301.777
where: short stacking energy: -504.586
Base-Backbone interact. energy: -3.248
local terms energy: -503.743843
where:
bonds (distance) C4'-P energy: -96.637
bonds (distance) P-C4' energy: -96.611
flat angles C4'-P-C4' energy: -102.395
flat angles P-C4'-P energy: -79.557
tors. eta vs tors. theta energy: -128.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -1789.862134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.862134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.862134 (E_RNA)
where:
Base-Base interactions energy: -1278.081
where: short stacking energy: -498.387
Base-Backbone interact. energy: -2.826
local terms energy: -508.954890
where:
bonds (distance) C4'-P energy: -93.443
bonds (distance) P-C4' energy: -87.257
flat angles C4'-P-C4' energy: -118.511
flat angles P-C4'-P energy: -70.786
tors. eta vs tors. theta energy: -138.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -1605.430544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.430544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.430544 (E_RNA)
where:
Base-Base interactions energy: -1148.649
where: short stacking energy: -452.002
Base-Backbone interact. energy: -2.142
local terms energy: -454.639625
where:
bonds (distance) C4'-P energy: -69.853
bonds (distance) P-C4' energy: -91.667
flat angles C4'-P-C4' energy: -102.933
flat angles P-C4'-P energy: -66.735
tors. eta vs tors. theta energy: -123.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -1377.242297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1377.242297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1377.242297 (E_RNA)
where:
Base-Base interactions energy: -931.706
where: short stacking energy: -407.246
Base-Backbone interact. energy: 1.701
local terms energy: -447.237264
where:
bonds (distance) C4'-P energy: -86.061
bonds (distance) P-C4' energy: -88.368
flat angles C4'-P-C4' energy: -102.371
flat angles P-C4'-P energy: -60.890
tors. eta vs tors. theta energy: -109.547
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: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -1313.264968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.264968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.264968 (E_RNA)
where:
Base-Base interactions energy: -902.222
where: short stacking energy: -398.777
Base-Backbone interact. energy: 1.274
local terms energy: -412.317620
where:
bonds (distance) C4'-P energy: -76.397
bonds (distance) P-C4' energy: -67.959
flat angles C4'-P-C4' energy: -95.889
flat angles P-C4'-P energy: -67.242
tors. eta vs tors. theta energy: -104.830
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: 8, replica: 5
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -1154.204972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1154.204972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1154.204972 (E_RNA)
where:
Base-Base interactions energy: -788.683
where: short stacking energy: -346.842
Base-Backbone interact. energy: -0.313
local terms energy: -365.208369
where:
bonds (distance) C4'-P energy: -81.547
bonds (distance) P-C4' energy: -94.775
flat angles C4'-P-C4' energy: -81.799
flat angles P-C4'-P energy: -43.408
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: 9, replica: 6
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -1066.214869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.214869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.214869 (E_RNA)
where:
Base-Base interactions energy: -685.699
where: short stacking energy: -295.731
Base-Backbone interact. energy: 0.847
local terms energy: -381.362342
where:
bonds (distance) C4'-P energy: -82.204
bonds (distance) P-C4' energy: -90.577
flat angles C4'-P-C4' energy: -83.545
flat angles P-C4'-P energy: -60.654
tors. eta vs tors. theta energy: -64.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -825.247801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -825.247801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -825.247801 (E_RNA)
where:
Base-Base interactions energy: -513.120
where: short stacking energy: -240.512
Base-Backbone interact. energy: 2.737
local terms energy: -314.864775
where:
bonds (distance) C4'-P energy: -75.749
bonds (distance) P-C4' energy: -79.831
flat angles C4'-P-C4' energy: -83.396
flat angles P-C4'-P energy: -42.952
tors. eta vs tors. theta energy: -32.938
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: 240
Temperature: 0.900000
Total energy: -1923.934840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.934840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.934840 (E_RNA)
where:
Base-Base interactions energy: -1362.149
where: short stacking energy: -573.560
Base-Backbone interact. energy: -0.381
local terms energy: -561.404210
where:
bonds (distance) C4'-P energy: -90.633
bonds (distance) P-C4' energy: -102.562
flat angles C4'-P-C4' energy: -128.174
flat angles P-C4'-P energy: -78.683
tors. eta vs tors. theta energy: -161.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -1833.551023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.551023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.551023 (E_RNA)
where:
Base-Base interactions energy: -1270.700
where: short stacking energy: -551.724
Base-Backbone interact. energy: -0.795
local terms energy: -562.055933
where:
bonds (distance) C4'-P energy: -107.356
bonds (distance) P-C4' energy: -103.667
flat angles C4'-P-C4' energy: -114.380
flat angles P-C4'-P energy: -83.014
tors. eta vs tors. theta energy: -153.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -1810.619154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1810.619154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1810.619154 (E_RNA)
where:
Base-Base interactions energy: -1291.490
where: short stacking energy: -524.463
Base-Backbone interact. energy: -0.362
local terms energy: -518.767133
where:
bonds (distance) C4'-P energy: -89.791
bonds (distance) P-C4' energy: -104.311
flat angles C4'-P-C4' energy: -108.263
flat angles P-C4'-P energy: -75.149
tors. eta vs tors. theta energy: -141.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -1788.152738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.152738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.152738 (E_RNA)
where:
Base-Base interactions energy: -1279.677
where: short stacking energy: -531.954
Base-Backbone interact. energy: 0.224
local terms energy: -508.699737
where:
bonds (distance) C4'-P energy: -85.910
bonds (distance) P-C4' energy: -95.543
flat angles C4'-P-C4' energy: -99.351
flat angles P-C4'-P energy: -75.521
tors. eta vs tors. theta energy: -152.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -1628.862174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.862174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.862174 (E_RNA)
where:
Base-Base interactions energy: -1145.450
where: short stacking energy: -456.579
Base-Backbone interact. energy: 0.673
local terms energy: -484.085737
where:
bonds (distance) C4'-P energy: -92.186
bonds (distance) P-C4' energy: -93.017
flat angles C4'-P-C4' energy: -105.320
flat angles P-C4'-P energy: -75.694
tors. eta vs tors. theta energy: -117.869
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: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -1474.225886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.225886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.225886 (E_RNA)
where:
Base-Base interactions energy: -1030.101
where: short stacking energy: -455.209
Base-Backbone interact. energy: -2.395
local terms energy: -441.729648
where:
bonds (distance) C4'-P energy: -79.525
bonds (distance) P-C4' energy: -81.957
flat angles C4'-P-C4' energy: -99.535
flat angles P-C4'-P energy: -66.209
tors. eta vs tors. theta energy: -114.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -1355.159189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.159189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.159189 (E_RNA)
where:
Base-Base interactions energy: -932.413
where: short stacking energy: -403.273
Base-Backbone interact. energy: -0.688
local terms energy: -422.058048
where:
bonds (distance) C4'-P energy: -92.461
bonds (distance) P-C4' energy: -88.240
flat angles C4'-P-C4' energy: -78.554
flat angles P-C4'-P energy: -51.689
tors. eta vs tors. theta energy: -111.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -1125.304350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1125.304350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1125.304350 (E_RNA)
where:
Base-Base interactions energy: -737.160
where: short stacking energy: -343.006
Base-Backbone interact. energy: 1.230
local terms energy: -389.375318
where:
bonds (distance) C4'-P energy: -79.528
bonds (distance) P-C4' energy: -88.708
flat angles C4'-P-C4' energy: -96.128
flat angles P-C4'-P energy: -48.082
tors. eta vs tors. theta energy: -76.929
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: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -1025.147877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.147877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.147877 (E_RNA)
where:
Base-Base interactions energy: -660.417
where: short stacking energy: -275.109
Base-Backbone interact. energy: -0.694
local terms energy: -364.037603
where:
bonds (distance) C4'-P energy: -72.417
bonds (distance) P-C4' energy: -94.571
flat angles C4'-P-C4' energy: -96.950
flat angles P-C4'-P energy: -48.802
tors. eta vs tors. theta energy: -51.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -824.576464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.576464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.576464 (E_RNA)
where:
Base-Base interactions energy: -520.103
where: short stacking energy: -251.988
Base-Backbone interact. energy: -0.121
local terms energy: -304.352022
where:
bonds (distance) C4'-P energy: -59.081
bonds (distance) P-C4' energy: -84.728
flat angles C4'-P-C4' energy: -86.759
flat angles P-C4'-P energy: -33.764
tors. eta vs tors. theta energy: -40.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -1958.228647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.228647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.228647 (E_RNA)
where:
Base-Base interactions energy: -1383.058
where: short stacking energy: -557.322
Base-Backbone interact. energy: -4.621
local terms energy: -570.550528
where:
bonds (distance) C4'-P energy: -93.359
bonds (distance) P-C4' energy: -105.310
flat angles C4'-P-C4' energy: -121.730
flat angles P-C4'-P energy: -86.003
tors. eta vs tors. theta energy: -164.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -1831.929787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.929787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.929787 (E_RNA)
where:
Base-Base interactions energy: -1309.394
where: short stacking energy: -540.238
Base-Backbone interact. energy: 2.479
local terms energy: -525.014325
where:
bonds (distance) C4'-P energy: -84.821
bonds (distance) P-C4' energy: -98.755
flat angles C4'-P-C4' energy: -116.703
flat angles P-C4'-P energy: -76.561
tors. eta vs tors. theta energy: -148.173
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: 3, replica: 8
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -1818.820617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.820617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.820617 (E_RNA)
where:
Base-Base interactions energy: -1284.523
where: short stacking energy: -530.467
Base-Backbone interact. energy: 0.874
local terms energy: -535.171260
where:
bonds (distance) C4'-P energy: -78.019
bonds (distance) P-C4' energy: -99.278
flat angles C4'-P-C4' energy: -106.719
flat angles P-C4'-P energy: -97.022
tors. eta vs tors. theta energy: -154.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -1825.904354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.904354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.904354 (E_RNA)
where:
Base-Base interactions energy: -1305.768
where: short stacking energy: -505.616
Base-Backbone interact. energy: 0.150
local terms energy: -520.286440
where:
bonds (distance) C4'-P energy: -96.114
bonds (distance) P-C4' energy: -94.543
flat angles C4'-P-C4' energy: -109.671
flat angles P-C4'-P energy: -83.948
tors. eta vs tors. theta energy: -136.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -1641.731897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.731897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.731897 (E_RNA)
where:
Base-Base interactions energy: -1166.308
where: short stacking energy: -474.101
Base-Backbone interact. energy: 1.374
local terms energy: -476.797910
where:
bonds (distance) C4'-P energy: -88.817
bonds (distance) P-C4' energy: -92.439
flat angles C4'-P-C4' energy: -109.259
flat angles P-C4'-P energy: -62.915
tors. eta vs tors. theta energy: -123.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -1481.640795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.640795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.640795 (E_RNA)
where:
Base-Base interactions energy: -1037.682
where: short stacking energy: -435.749
Base-Backbone interact. energy: -2.186
local terms energy: -441.772350
where:
bonds (distance) C4'-P energy: -80.760
bonds (distance) P-C4' energy: -85.117
flat angles C4'-P-C4' energy: -111.444
flat angles P-C4'-P energy: -55.717
tors. eta vs tors. theta energy: -108.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -1396.007516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.007516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.007516 (E_RNA)
where:
Base-Base interactions energy: -951.975
where: short stacking energy: -442.509
Base-Backbone interact. energy: -0.340
local terms energy: -443.692426
where:
bonds (distance) C4'-P energy: -87.609
bonds (distance) P-C4' energy: -96.151
flat angles C4'-P-C4' energy: -97.426
flat angles P-C4'-P energy: -54.749
tors. eta vs tors. theta energy: -107.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -1133.398261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.398261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.398261 (E_RNA)
where:
Base-Base interactions energy: -755.137
where: short stacking energy: -316.816
Base-Backbone interact. energy: -1.055
local terms energy: -377.206645
where:
bonds (distance) C4'-P energy: -92.468
bonds (distance) P-C4' energy: -75.476
flat angles C4'-P-C4' energy: -96.176
flat angles P-C4'-P energy: -51.265
tors. eta vs tors. theta energy: -61.822
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: 6
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -1022.866808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1022.866808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1022.866808 (E_RNA)
where:
Base-Base interactions energy: -671.273
where: short stacking energy: -276.168
Base-Backbone interact. energy: -2.675
local terms energy: -348.918071
where:
bonds (distance) C4'-P energy: -71.518
bonds (distance) P-C4' energy: -84.040
flat angles C4'-P-C4' energy: -89.144
flat angles P-C4'-P energy: -55.944
tors. eta vs tors. theta energy: -48.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -759.968073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.968073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.968073 (E_RNA)
where:
Base-Base interactions energy: -453.310
where: short stacking energy: -220.536
Base-Backbone interact. energy: 4.410
local terms energy: -311.068552
where:
bonds (distance) C4'-P energy: -82.488
bonds (distance) P-C4' energy: -91.777
flat angles C4'-P-C4' energy: -67.749
flat angles P-C4'-P energy: -55.964
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -1940.676227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.676227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.676227 (E_RNA)
where:
Base-Base interactions energy: -1381.554
where: short stacking energy: -563.639
Base-Backbone interact. energy: 1.776
local terms energy: -560.899053
where:
bonds (distance) C4'-P energy: -92.710
bonds (distance) P-C4' energy: -104.366
flat angles C4'-P-C4' energy: -123.238
flat angles P-C4'-P energy: -79.903
tors. eta vs tors. theta energy: -160.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -1829.169796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.169796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.169796 (E_RNA)
where:
Base-Base interactions energy: -1285.842
where: short stacking energy: -530.573
Base-Backbone interact. energy: -0.747
local terms energy: -542.581407
where:
bonds (distance) C4'-P energy: -92.811
bonds (distance) P-C4' energy: -104.049
flat angles C4'-P-C4' energy: -120.653
flat angles P-C4'-P energy: -82.887
tors. eta vs tors. theta energy: -142.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -1806.285633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.285633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.285633 (E_RNA)
where:
Base-Base interactions energy: -1290.172
where: short stacking energy: -515.898
Base-Backbone interact. energy: -5.195
local terms energy: -510.918338
where:
bonds (distance) C4'-P energy: -93.103
bonds (distance) P-C4' energy: -95.978
flat angles C4'-P-C4' energy: -115.364
flat angles P-C4'-P energy: -70.078
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: 4, replica: 8
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -1779.751655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.751655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.751655 (E_RNA)
where:
Base-Base interactions energy: -1266.730
where: short stacking energy: -504.375
Base-Backbone interact. energy: -1.871
local terms energy: -511.150683
where:
bonds (distance) C4'-P energy: -88.149
bonds (distance) P-C4' energy: -107.242
flat angles C4'-P-C4' energy: -108.605
flat angles P-C4'-P energy: -66.725
tors. eta vs tors. theta energy: -140.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -1567.147986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1567.147986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1567.147986 (E_RNA)
where:
Base-Base interactions energy: -1075.812
where: short stacking energy: -442.697
Base-Backbone interact. energy: -2.153
local terms energy: -489.183193
where:
bonds (distance) C4'-P energy: -90.679
bonds (distance) P-C4' energy: -100.765
flat angles C4'-P-C4' energy: -109.070
flat angles P-C4'-P energy: -85.492
tors. eta vs tors. theta energy: -103.177
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: 7
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -1492.607915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.607915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.607915 (E_RNA)
where:
Base-Base interactions energy: -1054.536
where: short stacking energy: -441.328
Base-Backbone interact. energy: -3.005
local terms energy: -435.066835
where:
bonds (distance) C4'-P energy: -80.547
bonds (distance) P-C4' energy: -89.396
flat angles C4'-P-C4' energy: -105.317
flat angles P-C4'-P energy: -54.487
tors. eta vs tors. theta energy: -105.321
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: 9
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -1397.373087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.373087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.373087 (E_RNA)
where:
Base-Base interactions energy: -981.772
where: short stacking energy: -406.972
Base-Backbone interact. energy: -3.463
local terms energy: -412.138303
where:
bonds (distance) C4'-P energy: -77.339
bonds (distance) P-C4' energy: -89.911
flat angles C4'-P-C4' energy: -85.091
flat angles P-C4'-P energy: -57.871
tors. eta vs tors. theta energy: -101.926
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: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -1175.756713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1175.756713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1175.756713 (E_RNA)
where:
Base-Base interactions energy: -784.160
where: short stacking energy: -329.354
Base-Backbone interact. energy: -1.778
local terms energy: -389.818278
where:
bonds (distance) C4'-P energy: -91.104
bonds (distance) P-C4' energy: -97.159
flat angles C4'-P-C4' energy: -88.719
flat angles P-C4'-P energy: -56.106
tors. eta vs tors. theta energy: -56.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -1075.662631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.662631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.662631 (E_RNA)
where:
Base-Base interactions energy: -697.120
where: short stacking energy: -309.736
Base-Backbone interact. energy: 0.984
local terms energy: -379.526757
where:
bonds (distance) C4'-P energy: -61.201
bonds (distance) P-C4' energy: -82.648
flat angles C4'-P-C4' energy: -92.061
flat angles P-C4'-P energy: -65.925
tors. eta vs tors. theta energy: -77.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -761.110850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.110850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.110850 (E_RNA)
where:
Base-Base interactions energy: -458.747
where: short stacking energy: -217.822
Base-Backbone interact. energy: 0.634
local terms energy: -302.997436
where:
bonds (distance) C4'-P energy: -91.034
bonds (distance) P-C4' energy: -94.738
flat angles C4'-P-C4' energy: -67.798
flat angles P-C4'-P energy: -41.602
tors. eta vs tors. theta energy: -7.825
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: 243
Temperature: 0.900000
Total energy: -1943.878286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.878286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.878286 (E_RNA)
where:
Base-Base interactions energy: -1356.562
where: short stacking energy: -557.913
Base-Backbone interact. energy: -1.225
local terms energy: -586.092042
where:
bonds (distance) C4'-P energy: -106.329
bonds (distance) P-C4' energy: -115.869
flat angles C4'-P-C4' energy: -129.160
flat angles P-C4'-P energy: -72.143
tors. eta vs tors. theta energy: -162.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -1827.739986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1827.739986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1827.739986 (E_RNA)
where:
Base-Base interactions energy: -1291.448
where: short stacking energy: -533.562
Base-Backbone interact. energy: -4.195
local terms energy: -532.096743
where:
bonds (distance) C4'-P energy: -96.847
bonds (distance) P-C4' energy: -107.432
flat angles C4'-P-C4' energy: -108.247
flat angles P-C4'-P energy: -71.926
tors. eta vs tors. theta energy: -147.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -1839.643343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.643343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.643343 (E_RNA)
where:
Base-Base interactions energy: -1306.890
where: short stacking energy: -512.657
Base-Backbone interact. energy: -1.279
local terms energy: -531.474485
where:
bonds (distance) C4'-P energy: -91.922
bonds (distance) P-C4' energy: -104.123
flat angles C4'-P-C4' energy: -112.053
flat angles P-C4'-P energy: -79.045
tors. eta vs tors. theta energy: -144.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -1777.143766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.143766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.143766 (E_RNA)
where:
Base-Base interactions energy: -1274.917
where: short stacking energy: -512.962
Base-Backbone interact. energy: -0.583
local terms energy: -501.643538
where:
bonds (distance) C4'-P energy: -78.571
bonds (distance) P-C4' energy: -92.436
flat angles C4'-P-C4' energy: -108.188
flat angles P-C4'-P energy: -73.748
tors. eta vs tors. theta energy: -148.701
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: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -1580.075330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.075330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.075330 (E_RNA)
where:
Base-Base interactions energy: -1110.767
where: short stacking energy: -463.164
Base-Backbone interact. energy: 1.034
local terms energy: -470.341537
where:
bonds (distance) C4'-P energy: -82.974
bonds (distance) P-C4' energy: -100.845
flat angles C4'-P-C4' energy: -107.059
flat angles P-C4'-P energy: -72.084
tors. eta vs tors. theta energy: -107.381
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: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -1514.777550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.777550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.777550 (E_RNA)
where:
Base-Base interactions energy: -1078.752
where: short stacking energy: -458.597
Base-Backbone interact. energy: -1.605
local terms energy: -434.419930
where:
bonds (distance) C4'-P energy: -86.847
bonds (distance) P-C4' energy: -79.569
flat angles C4'-P-C4' energy: -92.581
flat angles P-C4'-P energy: -59.592
tors. eta vs tors. theta energy: -115.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -1382.244007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.244007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.244007 (E_RNA)
where:
Base-Base interactions energy: -957.337
where: short stacking energy: -419.792
Base-Backbone interact. energy: 1.164
local terms energy: -426.070561
where:
bonds (distance) C4'-P energy: -86.105
bonds (distance) P-C4' energy: -81.860
flat angles C4'-P-C4' energy: -86.396
flat angles P-C4'-P energy: -54.404
tors. eta vs tors. theta energy: -117.306
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: 5
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -1153.735653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.735653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.735653 (E_RNA)
where:
Base-Base interactions energy: -754.046
where: short stacking energy: -326.016
Base-Backbone interact. energy: 1.568
local terms energy: -401.257614
where:
bonds (distance) C4'-P energy: -95.032
bonds (distance) P-C4' energy: -72.849
flat angles C4'-P-C4' energy: -93.484
flat angles P-C4'-P energy: -68.135
tors. eta vs tors. theta energy: -71.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -1030.304257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1030.304257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1030.304257 (E_RNA)
where:
Base-Base interactions energy: -700.097
where: short stacking energy: -311.945
Base-Backbone interact. energy: -1.356
local terms energy: -328.851248
where:
bonds (distance) C4'-P energy: -93.155
bonds (distance) P-C4' energy: -67.541
flat angles C4'-P-C4' energy: -73.442
flat angles P-C4'-P energy: -43.276
tors. eta vs tors. theta energy: -51.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -785.456132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -785.456132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -785.456132 (E_RNA)
where:
Base-Base interactions energy: -471.898
where: short stacking energy: -231.356
Base-Backbone interact. energy: -0.591
local terms energy: -312.966614
where:
bonds (distance) C4'-P energy: -89.586
bonds (distance) P-C4' energy: -75.771
flat angles C4'-P-C4' energy: -80.925
flat angles P-C4'-P energy: -44.260
tors. eta vs tors. theta energy: -22.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -1944.315549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.315549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.315549 (E_RNA)
where:
Base-Base interactions energy: -1365.992
where: short stacking energy: -545.979
Base-Backbone interact. energy: -2.168
local terms energy: -576.155809
where:
bonds (distance) C4'-P energy: -98.225
bonds (distance) P-C4' energy: -102.168
flat angles C4'-P-C4' energy: -125.264
flat angles P-C4'-P energy: -88.979
tors. eta vs tors. theta energy: -161.519
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: 244
Temperature: 0.950000
Total energy: -1864.074089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.074089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.074089 (E_RNA)
where:
Base-Base interactions energy: -1328.702
where: short stacking energy: -541.013
Base-Backbone interact. energy: -2.223
local terms energy: -533.148490
where:
bonds (distance) C4'-P energy: -101.075
bonds (distance) P-C4' energy: -111.940
flat angles C4'-P-C4' energy: -111.616
flat angles P-C4'-P energy: -65.052
tors. eta vs tors. theta energy: -143.466
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: 1
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -1801.775372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.775372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.775372 (E_RNA)
where:
Base-Base interactions energy: -1287.599
where: short stacking energy: -508.560
Base-Backbone interact. energy: 1.484
local terms energy: -515.660207
where:
bonds (distance) C4'-P energy: -96.998
bonds (distance) P-C4' energy: -94.369
flat angles C4'-P-C4' energy: -115.122
flat angles P-C4'-P energy: -67.651
tors. eta vs tors. theta energy: -141.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -1744.255109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.255109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.255109 (E_RNA)
where:
Base-Base interactions energy: -1227.782
where: short stacking energy: -503.795
Base-Backbone interact. energy: 1.807
local terms energy: -518.280216
where:
bonds (distance) C4'-P energy: -102.155
bonds (distance) P-C4' energy: -105.272
flat angles C4'-P-C4' energy: -99.718
flat angles P-C4'-P energy: -73.105
tors. eta vs tors. theta energy: -138.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -1553.495575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1553.495575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1553.495575 (E_RNA)
where:
Base-Base interactions energy: -1072.147
where: short stacking energy: -466.954
Base-Backbone interact. energy: -0.040
local terms energy: -481.308272
where:
bonds (distance) C4'-P energy: -85.858
bonds (distance) P-C4' energy: -96.590
flat angles C4'-P-C4' energy: -108.077
flat angles P-C4'-P energy: -66.197
tors. eta vs tors. theta energy: -124.587
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: 3
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -1593.625702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.625702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.625702 (E_RNA)
where:
Base-Base interactions energy: -1117.932
where: short stacking energy: -443.962
Base-Backbone interact. energy: 4.678
local terms energy: -480.371533
where:
bonds (distance) C4'-P energy: -95.472
bonds (distance) P-C4' energy: -99.866
flat angles C4'-P-C4' energy: -105.978
flat angles P-C4'-P energy: -63.030
tors. eta vs tors. theta energy: -116.025
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: 9
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -1378.998794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.998794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.998794 (E_RNA)
where:
Base-Base interactions energy: -945.747
where: short stacking energy: -400.332
Base-Backbone interact. energy: -2.107
local terms energy: -431.145223
where:
bonds (distance) C4'-P energy: -93.732
bonds (distance) P-C4' energy: -83.969
flat angles C4'-P-C4' energy: -102.504
flat angles P-C4'-P energy: -58.610
tors. eta vs tors. theta energy: -92.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -1206.109164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.109164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.109164 (E_RNA)
where:
Base-Base interactions energy: -812.171
where: short stacking energy: -368.827
Base-Backbone interact. energy: -1.249
local terms energy: -392.688482
where:
bonds (distance) C4'-P energy: -82.528
bonds (distance) P-C4' energy: -93.765
flat angles C4'-P-C4' energy: -73.681
flat angles P-C4'-P energy: -74.285
tors. eta vs tors. theta energy: -68.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -1046.844848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1046.844848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1046.844848 (E_RNA)
where:
Base-Base interactions energy: -683.485
where: short stacking energy: -300.649
Base-Backbone interact. energy: 0.602
local terms energy: -363.962014
where:
bonds (distance) C4'-P energy: -91.700
bonds (distance) P-C4' energy: -79.720
flat angles C4'-P-C4' energy: -85.015
flat angles P-C4'-P energy: -48.648
tors. eta vs tors. theta energy: -58.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -781.211798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.211798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.211798 (E_RNA)
where:
Base-Base interactions energy: -463.045
where: short stacking energy: -245.664
Base-Backbone interact. energy: -2.705
local terms energy: -315.461047
where:
bonds (distance) C4'-P energy: -75.008
bonds (distance) P-C4' energy: -83.152
flat angles C4'-P-C4' energy: -76.498
flat angles P-C4'-P energy: -49.993
tors. eta vs tors. theta energy: -30.810
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: 4
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -1931.970421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.970421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.970421 (E_RNA)
where:
Base-Base interactions energy: -1367.431
where: short stacking energy: -561.709
Base-Backbone interact. energy: -3.087
local terms energy: -561.452089
where:
bonds (distance) C4'-P energy: -100.151
bonds (distance) P-C4' energy: -99.094
flat angles C4'-P-C4' energy: -121.752
flat angles P-C4'-P energy: -80.366
tors. eta vs tors. theta energy: -160.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -1850.068945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.068945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.068945 (E_RNA)
where:
Base-Base interactions energy: -1304.418
where: short stacking energy: -532.586
Base-Backbone interact. energy: -1.041
local terms energy: -544.610087
where:
bonds (distance) C4'-P energy: -110.252
bonds (distance) P-C4' energy: -100.976
flat angles C4'-P-C4' energy: -113.843
flat angles P-C4'-P energy: -73.545
tors. eta vs tors. theta energy: -145.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -1833.134173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.134173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.134173 (E_RNA)
where:
Base-Base interactions energy: -1325.777
where: short stacking energy: -522.646
Base-Backbone interact. energy: -0.521
local terms energy: -506.836194
where:
bonds (distance) C4'-P energy: -86.278
bonds (distance) P-C4' energy: -87.453
flat angles C4'-P-C4' energy: -117.507
flat angles P-C4'-P energy: -66.575
tors. eta vs tors. theta energy: -149.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -1723.576748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.576748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.576748 (E_RNA)
where:
Base-Base interactions energy: -1219.017
where: short stacking energy: -524.055
Base-Backbone interact. energy: -3.348
local terms energy: -501.211921
where:
bonds (distance) C4'-P energy: -84.192
bonds (distance) P-C4' energy: -89.438
flat angles C4'-P-C4' energy: -104.525
flat angles P-C4'-P energy: -74.165
tors. eta vs tors. theta energy: -148.893
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: 7
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -1610.091156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1610.091156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1610.091156 (E_RNA)
where:
Base-Base interactions energy: -1120.297
where: short stacking energy: -479.286
Base-Backbone interact. energy: 2.368
local terms energy: -492.161783
where:
bonds (distance) C4'-P energy: -96.830
bonds (distance) P-C4' energy: -86.582
flat angles C4'-P-C4' energy: -111.729
flat angles P-C4'-P energy: -67.710
tors. eta vs tors. theta energy: -129.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -1571.463310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.463310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.463310 (E_RNA)
where:
Base-Base interactions energy: -1095.775
where: short stacking energy: -407.462
Base-Backbone interact. energy: -0.991
local terms energy: -474.697857
where:
bonds (distance) C4'-P energy: -99.755
bonds (distance) P-C4' energy: -97.470
flat angles C4'-P-C4' energy: -103.173
flat angles P-C4'-P energy: -63.923
tors. eta vs tors. theta energy: -110.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -1444.845775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.845775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.845775 (E_RNA)
where:
Base-Base interactions energy: -1001.769
where: short stacking energy: -417.131
Base-Backbone interact. energy: 0.429
local terms energy: -443.505504
where:
bonds (distance) C4'-P energy: -84.712
bonds (distance) P-C4' energy: -85.847
flat angles C4'-P-C4' energy: -108.524
flat angles P-C4'-P energy: -68.462
tors. eta vs tors. theta energy: -95.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -1185.458389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1185.458389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1185.458389 (E_RNA)
where:
Base-Base interactions energy: -777.630
where: short stacking energy: -314.525
Base-Backbone interact. energy: -0.934
local terms energy: -406.894172
where:
bonds (distance) C4'-P energy: -97.709
bonds (distance) P-C4' energy: -88.576
flat angles C4'-P-C4' energy: -92.934
flat angles P-C4'-P energy: -60.061
tors. eta vs tors. theta energy: -67.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -1072.662034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.662034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.662034 (E_RNA)
where:
Base-Base interactions energy: -721.260
where: short stacking energy: -302.019
Base-Backbone interact. energy: -3.747
local terms energy: -347.654470
where:
bonds (distance) C4'-P energy: -66.849
bonds (distance) P-C4' energy: -77.055
flat angles C4'-P-C4' energy: -81.221
flat angles P-C4'-P energy: -53.771
tors. eta vs tors. theta energy: -68.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -742.476737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.476737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.476737 (E_RNA)
where:
Base-Base interactions energy: -435.188
where: short stacking energy: -214.204
Base-Backbone interact. energy: -1.108
local terms energy: -306.181171
where:
bonds (distance) C4'-P energy: -93.539
bonds (distance) P-C4' energy: -94.019
flat angles C4'-P-C4' energy: -69.633
flat angles P-C4'-P energy: -33.524
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -1949.009447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.009447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.009447 (E_RNA)
where:
Base-Base interactions energy: -1385.480
where: short stacking energy: -558.343
Base-Backbone interact. energy: -0.712
local terms energy: -562.817471
where:
bonds (distance) C4'-P energy: -90.351
bonds (distance) P-C4' energy: -103.877
flat angles C4'-P-C4' energy: -123.887
flat angles P-C4'-P energy: -84.589
tors. eta vs tors. theta energy: -160.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -1876.804648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.804648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.804648 (E_RNA)
where:
Base-Base interactions energy: -1312.989
where: short stacking energy: -535.995
Base-Backbone interact. energy: -1.262
local terms energy: -562.552997
where:
bonds (distance) C4'-P energy: -113.218
bonds (distance) P-C4' energy: -110.918
flat angles C4'-P-C4' energy: -113.665
flat angles P-C4'-P energy: -79.316
tors. eta vs tors. theta energy: -145.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -1804.847242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.847242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.847242 (E_RNA)
where:
Base-Base interactions energy: -1282.998
where: short stacking energy: -505.384
Base-Backbone interact. energy: -2.348
local terms energy: -519.501780
where:
bonds (distance) C4'-P energy: -84.041
bonds (distance) P-C4' energy: -94.755
flat angles C4'-P-C4' energy: -116.739
flat angles P-C4'-P energy: -83.249
tors. eta vs tors. theta energy: -140.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -1701.705063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.705063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.705063 (E_RNA)
where:
Base-Base interactions energy: -1193.727
where: short stacking energy: -480.548
Base-Backbone interact. energy: -0.441
local terms energy: -507.536135
where:
bonds (distance) C4'-P energy: -104.233
bonds (distance) P-C4' energy: -94.318
flat angles C4'-P-C4' energy: -103.361
flat angles P-C4'-P energy: -79.312
tors. eta vs tors. theta energy: -126.313
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: 3
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -1614.448272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.448272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.448272 (E_RNA)
where:
Base-Base interactions energy: -1161.271
where: short stacking energy: -453.498
Base-Backbone interact. energy: -1.809
local terms energy: -451.368892
where:
bonds (distance) C4'-P energy: -69.263
bonds (distance) P-C4' energy: -101.881
flat angles C4'-P-C4' energy: -104.601
flat angles P-C4'-P energy: -72.014
tors. eta vs tors. theta energy: -103.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -1518.681419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.681419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.681419 (E_RNA)
where:
Base-Base interactions energy: -1045.441
where: short stacking energy: -467.469
Base-Backbone interact. energy: -1.207
local terms energy: -472.033449
where:
bonds (distance) C4'-P energy: -88.499
bonds (distance) P-C4' energy: -85.880
flat angles C4'-P-C4' energy: -112.667
flat angles P-C4'-P energy: -63.137
tors. eta vs tors. theta energy: -121.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -1434.076231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.076231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.076231 (E_RNA)
where:
Base-Base interactions energy: -996.283
where: short stacking energy: -435.764
Base-Backbone interact. energy: -1.701
local terms energy: -436.092335
where:
bonds (distance) C4'-P energy: -86.338
bonds (distance) P-C4' energy: -96.542
flat angles C4'-P-C4' energy: -98.332
flat angles P-C4'-P energy: -48.946
tors. eta vs tors. theta energy: -105.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -1168.512935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.512935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.512935 (E_RNA)
where:
Base-Base interactions energy: -789.127
where: short stacking energy: -336.754
Base-Backbone interact. energy: 0.337
local terms energy: -379.722855
where:
bonds (distance) C4'-P energy: -89.648
bonds (distance) P-C4' energy: -80.928
flat angles C4'-P-C4' energy: -88.280
flat angles P-C4'-P energy: -54.095
tors. eta vs tors. theta energy: -66.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -1059.156836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.156836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.156836 (E_RNA)
where:
Base-Base interactions energy: -681.947
where: short stacking energy: -306.522
Base-Backbone interact. energy: -0.555
local terms energy: -376.655002
where:
bonds (distance) C4'-P energy: -73.209
bonds (distance) P-C4' energy: -102.069
flat angles C4'-P-C4' energy: -84.745
flat angles P-C4'-P energy: -64.415
tors. eta vs tors. theta energy: -52.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -737.684778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.684778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.684778 (E_RNA)
where:
Base-Base interactions energy: -429.600
where: short stacking energy: -210.927
Base-Backbone interact. energy: 0.495
local terms energy: -308.580145
where:
bonds (distance) C4'-P energy: -91.884
bonds (distance) P-C4' energy: -89.126
flat angles C4'-P-C4' energy: -63.208
flat angles P-C4'-P energy: -39.765
tors. eta vs tors. theta energy: -24.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -1905.329172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.329172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.329172 (E_RNA)
where:
Base-Base interactions energy: -1354.793
where: short stacking energy: -532.894
Base-Backbone interact. energy: 4.559
local terms energy: -555.095431
where:
bonds (distance) C4'-P energy: -92.488
bonds (distance) P-C4' energy: -111.843
flat angles C4'-P-C4' energy: -120.656
flat angles P-C4'-P energy: -72.178
tors. eta vs tors. theta energy: -157.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -1866.964276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.964276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.964276 (E_RNA)
where:
Base-Base interactions energy: -1323.941
where: short stacking energy: -535.389
Base-Backbone interact. energy: -0.512
local terms energy: -542.510430
where:
bonds (distance) C4'-P energy: -88.274
bonds (distance) P-C4' energy: -110.784
flat angles C4'-P-C4' energy: -119.748
flat angles P-C4'-P energy: -70.234
tors. eta vs tors. theta energy: -153.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -1818.846976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.846976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.846976 (E_RNA)
where:
Base-Base interactions energy: -1307.286
where: short stacking energy: -508.167
Base-Backbone interact. energy: 2.799
local terms energy: -514.360369
where:
bonds (distance) C4'-P energy: -86.792
bonds (distance) P-C4' energy: -89.267
flat angles C4'-P-C4' energy: -117.999
flat angles P-C4'-P energy: -75.783
tors. eta vs tors. theta energy: -144.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -1715.870040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.870040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.870040 (E_RNA)
where:
Base-Base interactions energy: -1226.683
where: short stacking energy: -492.059
Base-Backbone interact. energy: 3.888
local terms energy: -493.074572
where:
bonds (distance) C4'-P energy: -94.660
bonds (distance) P-C4' energy: -98.866
flat angles C4'-P-C4' energy: -101.130
flat angles P-C4'-P energy: -68.998
tors. eta vs tors. theta energy: -129.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -1632.289947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.289947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.289947 (E_RNA)
where:
Base-Base interactions energy: -1150.926
where: short stacking energy: -464.113
Base-Backbone interact. energy: -3.787
local terms energy: -477.576477
where:
bonds (distance) C4'-P energy: -85.105
bonds (distance) P-C4' energy: -98.885
flat angles C4'-P-C4' energy: -116.906
flat angles P-C4'-P energy: -65.357
tors. eta vs tors. theta energy: -111.323
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: 9
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -1465.409776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1465.409776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1465.409776 (E_RNA)
where:
Base-Base interactions energy: -1024.407
where: short stacking energy: -413.459
Base-Backbone interact. energy: 0.398
local terms energy: -441.400766
where:
bonds (distance) C4'-P energy: -66.228
bonds (distance) P-C4' energy: -91.328
flat angles C4'-P-C4' energy: -95.940
flat angles P-C4'-P energy: -74.517
tors. eta vs tors. theta energy: -113.388
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: 7, replica: 7
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -1484.383008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.383008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.383008 (E_RNA)
where:
Base-Base interactions energy: -1035.010
where: short stacking energy: -436.498
Base-Backbone interact. energy: -1.687
local terms energy: -447.686139
where:
bonds (distance) C4'-P energy: -85.396
bonds (distance) P-C4' energy: -84.934
flat angles C4'-P-C4' energy: -103.679
flat angles P-C4'-P energy: -59.382
tors. eta vs tors. theta energy: -114.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -1176.982155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1176.982155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1176.982155 (E_RNA)
where:
Base-Base interactions energy: -802.838
where: short stacking energy: -327.929
Base-Backbone interact. energy: -1.536
local terms energy: -372.608112
where:
bonds (distance) C4'-P energy: -88.538
bonds (distance) P-C4' energy: -87.857
flat angles C4'-P-C4' energy: -79.863
flat angles P-C4'-P energy: -42.622
tors. eta vs tors. theta energy: -73.729
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: 9, replica: 6
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -1041.450444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.450444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.450444 (E_RNA)
where:
Base-Base interactions energy: -697.438
where: short stacking energy: -318.333
Base-Backbone interact. energy: -1.532
local terms energy: -342.480556
where:
bonds (distance) C4'-P energy: -68.824
bonds (distance) P-C4' energy: -80.556
flat angles C4'-P-C4' energy: -93.837
flat angles P-C4'-P energy: -42.108
tors. eta vs tors. theta energy: -57.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -734.774090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.774090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.774090 (E_RNA)
where:
Base-Base interactions energy: -422.503
where: short stacking energy: -220.374
Base-Backbone interact. energy: 0.485
local terms energy: -312.755979
where:
bonds (distance) C4'-P energy: -79.560
bonds (distance) P-C4' energy: -83.569
flat angles C4'-P-C4' energy: -84.829
flat angles P-C4'-P energy: -37.083
tors. eta vs tors. theta energy: -27.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -1932.954749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.954749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.954749 (E_RNA)
where:
Base-Base interactions energy: -1353.428
where: short stacking energy: -543.298
Base-Backbone interact. energy: -3.219
local terms energy: -576.307393
where:
bonds (distance) C4'-P energy: -103.692
bonds (distance) P-C4' energy: -110.511
flat angles C4'-P-C4' energy: -119.338
flat angles P-C4'-P energy: -85.058
tors. eta vs tors. theta energy: -157.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -1887.255494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.255494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.255494 (E_RNA)
where:
Base-Base interactions energy: -1354.784
where: short stacking energy: -564.206
Base-Backbone interact. energy: -2.664
local terms energy: -529.807272
where:
bonds (distance) C4'-P energy: -99.285
bonds (distance) P-C4' energy: -82.575
flat angles C4'-P-C4' energy: -118.451
flat angles P-C4'-P energy: -78.603
tors. eta vs tors. theta energy: -150.894
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: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -1823.121860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.121860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.121860 (E_RNA)
where:
Base-Base interactions energy: -1301.769
where: short stacking energy: -535.854
Base-Backbone interact. energy: 1.002
local terms energy: -522.355184
where:
bonds (distance) C4'-P energy: -101.524
bonds (distance) P-C4' energy: -92.827
flat angles C4'-P-C4' energy: -108.730
flat angles P-C4'-P energy: -78.846
tors. eta vs tors. theta energy: -140.428
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: 8
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -1753.131572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.131572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.131572 (E_RNA)
where:
Base-Base interactions energy: -1245.879
where: short stacking energy: -510.047
Base-Backbone interact. energy: -2.964
local terms energy: -504.288591
where:
bonds (distance) C4'-P energy: -86.129
bonds (distance) P-C4' energy: -93.424
flat angles C4'-P-C4' energy: -107.967
flat angles P-C4'-P energy: -77.614
tors. eta vs tors. theta energy: -139.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -1646.075784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1646.075784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1646.075784 (E_RNA)
where:
Base-Base interactions energy: -1179.475
where: short stacking energy: -487.563
Base-Backbone interact. energy: -0.734
local terms energy: -465.867036
where:
bonds (distance) C4'-P energy: -88.029
bonds (distance) P-C4' energy: -92.979
flat angles C4'-P-C4' energy: -107.692
flat angles P-C4'-P energy: -53.044
tors. eta vs tors. theta energy: -124.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -1473.375201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.375201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.375201 (E_RNA)
where:
Base-Base interactions energy: -992.658
where: short stacking energy: -403.109
Base-Backbone interact. energy: -1.536
local terms energy: -479.181472
where:
bonds (distance) C4'-P energy: -85.063
bonds (distance) P-C4' energy: -98.745
flat angles C4'-P-C4' energy: -117.301
flat angles P-C4'-P energy: -66.655
tors. eta vs tors. theta energy: -111.417
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: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -1459.067525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.067525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.067525 (E_RNA)
where:
Base-Base interactions energy: -1012.237
where: short stacking energy: -410.082
Base-Backbone interact. energy: 1.751
local terms energy: -448.581844
where:
bonds (distance) C4'-P energy: -87.639
bonds (distance) P-C4' energy: -88.649
flat angles C4'-P-C4' energy: -107.516
flat angles P-C4'-P energy: -59.073
tors. eta vs tors. theta energy: -105.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -1186.692735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1186.692735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1186.692735 (E_RNA)
where:
Base-Base interactions energy: -803.635
where: short stacking energy: -339.222
Base-Backbone interact. energy: -1.268
local terms energy: -381.789546
where:
bonds (distance) C4'-P energy: -71.282
bonds (distance) P-C4' energy: -87.186
flat angles C4'-P-C4' energy: -93.481
flat angles P-C4'-P energy: -60.298
tors. eta vs tors. theta energy: -69.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -1085.858776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.858776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.858776 (E_RNA)
where:
Base-Base interactions energy: -738.172
where: short stacking energy: -313.193
Base-Backbone interact. energy: -1.837
local terms energy: -345.849415
where:
bonds (distance) C4'-P energy: -64.211
bonds (distance) P-C4' energy: -100.004
flat angles C4'-P-C4' energy: -84.413
flat angles P-C4'-P energy: -41.838
tors. eta vs tors. theta energy: -55.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -741.255280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.255280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.255280 (E_RNA)
where:
Base-Base interactions energy: -420.833
where: short stacking energy: -203.348
Base-Backbone interact. energy: -1.005
local terms energy: -319.417407
where:
bonds (distance) C4'-P energy: -84.108
bonds (distance) P-C4' energy: -79.041
flat angles C4'-P-C4' energy: -80.785
flat angles P-C4'-P energy: -43.339
tors. eta vs tors. theta energy: -32.144
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: 1, replica: 1
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -1913.247645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.247645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.247645 (E_RNA)
where:
Base-Base interactions energy: -1371.093
where: short stacking energy: -550.357
Base-Backbone interact. energy: -4.035
local terms energy: -538.119011
where:
bonds (distance) C4'-P energy: -107.343
bonds (distance) P-C4' energy: -101.695
flat angles C4'-P-C4' energy: -108.100
flat angles P-C4'-P energy: -74.214
tors. eta vs tors. theta energy: -146.766
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: 4
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -1904.247443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.247443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.247443 (E_RNA)
where:
Base-Base interactions energy: -1355.936
where: short stacking energy: -549.695
Base-Backbone interact. energy: -0.823
local terms energy: -547.488924
where:
bonds (distance) C4'-P energy: -103.062
bonds (distance) P-C4' energy: -99.376
flat angles C4'-P-C4' energy: -111.974
flat angles P-C4'-P energy: -70.948
tors. eta vs tors. theta energy: -162.129
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: 3, replica: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -1842.908034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.908034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.908034 (E_RNA)
where:
Base-Base interactions energy: -1326.292
where: short stacking energy: -533.847
Base-Backbone interact. energy: -0.765
local terms energy: -515.851545
where:
bonds (distance) C4'-P energy: -84.311
bonds (distance) P-C4' energy: -83.848
flat angles C4'-P-C4' energy: -120.375
flat angles P-C4'-P energy: -78.101
tors. eta vs tors. theta energy: -149.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -1731.172898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.172898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.172898 (E_RNA)
where:
Base-Base interactions energy: -1237.318
where: short stacking energy: -504.704
Base-Backbone interact. energy: -1.383
local terms energy: -492.472081
where:
bonds (distance) C4'-P energy: -77.354
bonds (distance) P-C4' energy: -94.053
flat angles C4'-P-C4' energy: -118.172
flat angles P-C4'-P energy: -70.689
tors. eta vs tors. theta energy: -132.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -1674.888228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.888228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.888228 (E_RNA)
where:
Base-Base interactions energy: -1182.206
where: short stacking energy: -469.143
Base-Backbone interact. energy: -4.739
local terms energy: -487.943524
where:
bonds (distance) C4'-P energy: -88.040
bonds (distance) P-C4' energy: -95.551
flat angles C4'-P-C4' energy: -110.952
flat angles P-C4'-P energy: -70.712
tors. eta vs tors. theta energy: -122.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -1501.289623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.289623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.289623 (E_RNA)
where:
Base-Base interactions energy: -1037.505
where: short stacking energy: -417.034
Base-Backbone interact. energy: -1.770
local terms energy: -462.014712
where:
bonds (distance) C4'-P energy: -83.607
bonds (distance) P-C4' energy: -99.262
flat angles C4'-P-C4' energy: -98.251
flat angles P-C4'-P energy: -82.560
tors. eta vs tors. theta energy: -98.335
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: 9
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -1418.146247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.146247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.146247 (E_RNA)
where:
Base-Base interactions energy: -965.888
where: short stacking energy: -419.441
Base-Backbone interact. energy: -2.123
local terms energy: -450.135873
where:
bonds (distance) C4'-P energy: -83.925
bonds (distance) P-C4' energy: -78.621
flat angles C4'-P-C4' energy: -105.624
flat angles P-C4'-P energy: -64.819
tors. eta vs tors. theta energy: -117.147
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: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -1273.232882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1273.232882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1273.232882 (E_RNA)
where:
Base-Base interactions energy: -866.255
where: short stacking energy: -353.657
Base-Backbone interact. energy: -3.523
local terms energy: -403.455008
where:
bonds (distance) C4'-P energy: -94.288
bonds (distance) P-C4' energy: -97.188
flat angles C4'-P-C4' energy: -101.142
flat angles P-C4'-P energy: -34.852
tors. eta vs tors. theta energy: -75.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -1050.490435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1050.490435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1050.490435 (E_RNA)
where:
Base-Base interactions energy: -691.983
where: short stacking energy: -312.719
Base-Backbone interact. energy: -0.362
local terms energy: -358.145240
where:
bonds (distance) C4'-P energy: -71.145
bonds (distance) P-C4' energy: -80.638
flat angles C4'-P-C4' energy: -88.931
flat angles P-C4'-P energy: -65.364
tors. eta vs tors. theta energy: -52.068
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: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -699.984065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.984065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.984065 (E_RNA)
where:
Base-Base interactions energy: -423.440
where: short stacking energy: -209.801
Base-Backbone interact. energy: -1.652
local terms energy: -274.892402
where:
bonds (distance) C4'-P energy: -78.816
bonds (distance) P-C4' energy: -79.178
flat angles C4'-P-C4' energy: -60.450
flat angles P-C4'-P energy: -42.605
tors. eta vs tors. theta energy: -13.843
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: 1, replica: 4
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -1955.329049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1955.329049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1955.329049 (E_RNA)
where:
Base-Base interactions energy: -1397.316
where: short stacking energy: -581.189
Base-Backbone interact. energy: -2.285
local terms energy: -555.727991
where:
bonds (distance) C4'-P energy: -101.087
bonds (distance) P-C4' energy: -98.723
flat angles C4'-P-C4' energy: -119.574
flat angles P-C4'-P energy: -78.065
tors. eta vs tors. theta energy: -158.279
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: 1
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -1886.057397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.057397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.057397 (E_RNA)
where:
Base-Base interactions energy: -1339.607
where: short stacking energy: -539.598
Base-Backbone interact. energy: -1.289
local terms energy: -545.161955
where:
bonds (distance) C4'-P energy: -95.548
bonds (distance) P-C4' energy: -105.599
flat angles C4'-P-C4' energy: -120.079
flat angles P-C4'-P energy: -75.828
tors. eta vs tors. theta energy: -148.107
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: 2
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -1838.542112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.542112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.542112 (E_RNA)
where:
Base-Base interactions energy: -1322.939
where: short stacking energy: -517.473
Base-Backbone interact. energy: -3.443
local terms energy: -512.159415
where:
bonds (distance) C4'-P energy: -93.851
bonds (distance) P-C4' energy: -100.668
flat angles C4'-P-C4' energy: -106.596
flat angles P-C4'-P energy: -70.527
tors. eta vs tors. theta energy: -140.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -1745.976867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.976867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.976867 (E_RNA)
where:
Base-Base interactions energy: -1246.269
where: short stacking energy: -502.835
Base-Backbone interact. energy: 0.689
local terms energy: -500.397389
where:
bonds (distance) C4'-P energy: -96.383
bonds (distance) P-C4' energy: -98.923
flat angles C4'-P-C4' energy: -105.308
flat angles P-C4'-P energy: -68.173
tors. eta vs tors. theta energy: -131.611
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: 250
Temperature: 1.100000
Total energy: -1683.167254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.167254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.167254 (E_RNA)
where:
Base-Base interactions energy: -1211.584
where: short stacking energy: -477.524
Base-Backbone interact. energy: -2.530
local terms energy: -469.052926
where:
bonds (distance) C4'-P energy: -83.954
bonds (distance) P-C4' energy: -88.314
flat angles C4'-P-C4' energy: -102.357
flat angles P-C4'-P energy: -62.203
tors. eta vs tors. theta energy: -132.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -1499.743839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.743839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.743839 (E_RNA)
where:
Base-Base interactions energy: -1068.901
where: short stacking energy: -434.933
Base-Backbone interact. energy: 0.116
local terms energy: -430.958428
where:
bonds (distance) C4'-P energy: -83.246
bonds (distance) P-C4' energy: -87.454
flat angles C4'-P-C4' energy: -104.307
flat angles P-C4'-P energy: -50.926
tors. eta vs tors. theta energy: -105.025
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: 9
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -1416.872638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.872638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.872638 (E_RNA)
where:
Base-Base interactions energy: -983.044
where: short stacking energy: -396.451
Base-Backbone interact. energy: -0.044
local terms energy: -433.784590
where:
bonds (distance) C4'-P energy: -72.659
bonds (distance) P-C4' energy: -89.702
flat angles C4'-P-C4' energy: -95.159
flat angles P-C4'-P energy: -64.522
tors. eta vs tors. theta energy: -111.743
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: 5
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -1250.946020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.946020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.946020 (E_RNA)
where:
Base-Base interactions energy: -871.253
where: short stacking energy: -360.865
Base-Backbone interact. energy: -1.145
local terms energy: -378.547222
where:
bonds (distance) C4'-P energy: -80.378
bonds (distance) P-C4' energy: -86.381
flat angles C4'-P-C4' energy: -92.885
flat angles P-C4'-P energy: -38.828
tors. eta vs tors. theta energy: -80.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -1081.260264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.260264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.260264 (E_RNA)
where:
Base-Base interactions energy: -721.573
where: short stacking energy: -306.403
Base-Backbone interact. energy: 0.332
local terms energy: -360.019286
where:
bonds (distance) C4'-P energy: -75.422
bonds (distance) P-C4' energy: -88.507
flat angles C4'-P-C4' energy: -91.726
flat angles P-C4'-P energy: -53.125
tors. eta vs tors. theta energy: -51.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -748.953911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.953911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.953911 (E_RNA)
where:
Base-Base interactions energy: -420.218
where: short stacking energy: -216.464
Base-Backbone interact. energy: -3.154
local terms energy: -325.582721
where:
bonds (distance) C4'-P energy: -82.599
bonds (distance) P-C4' energy: -93.958
flat angles C4'-P-C4' energy: -84.130
flat angles P-C4'-P energy: -44.911
tors. eta vs tors. theta energy: -19.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -1935.597672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.597672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.597672 (E_RNA)
where:
Base-Base interactions energy: -1379.176
where: short stacking energy: -557.814
Base-Backbone interact. energy: 2.013
local terms energy: -558.434227
where:
bonds (distance) C4'-P energy: -108.877
bonds (distance) P-C4' energy: -102.576
flat angles C4'-P-C4' energy: -118.311
flat angles P-C4'-P energy: -73.142
tors. eta vs tors. theta energy: -155.528
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: 1
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -1881.709233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.709233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.709233 (E_RNA)
where:
Base-Base interactions energy: -1342.449
where: short stacking energy: -532.592
Base-Backbone interact. energy: 3.410
local terms energy: -542.670340
where:
bonds (distance) C4'-P energy: -100.137
bonds (distance) P-C4' energy: -97.037
flat angles C4'-P-C4' energy: -113.532
flat angles P-C4'-P energy: -75.404
tors. eta vs tors. theta energy: -156.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -1855.212445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.212445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.212445 (E_RNA)
where:
Base-Base interactions energy: -1335.806
where: short stacking energy: -528.510
Base-Backbone interact. energy: 0.164
local terms energy: -519.571167
where:
bonds (distance) C4'-P energy: -86.590
bonds (distance) P-C4' energy: -108.122
flat angles C4'-P-C4' energy: -104.155
flat angles P-C4'-P energy: -75.147
tors. eta vs tors. theta energy: -145.558
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: 8
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -1761.193000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.193000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.193000 (E_RNA)
where:
Base-Base interactions energy: -1242.236
where: short stacking energy: -503.773
Base-Backbone interact. energy: 2.840
local terms energy: -521.797665
where:
bonds (distance) C4'-P energy: -95.702
bonds (distance) P-C4' energy: -99.674
flat angles C4'-P-C4' energy: -107.551
flat angles P-C4'-P energy: -71.592
tors. eta vs tors. theta energy: -147.280
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: 3
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -1631.955692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.955692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.955692 (E_RNA)
where:
Base-Base interactions energy: -1154.768
where: short stacking energy: -463.688
Base-Backbone interact. energy: -1.743
local terms energy: -475.444496
where:
bonds (distance) C4'-P energy: -95.746
bonds (distance) P-C4' energy: -88.461
flat angles C4'-P-C4' energy: -107.242
flat angles P-C4'-P energy: -68.769
tors. eta vs tors. theta energy: -115.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -1442.088114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.088114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.088114 (E_RNA)
where:
Base-Base interactions energy: -997.105
where: short stacking energy: -409.685
Base-Backbone interact. energy: -0.984
local terms energy: -443.998891
where:
bonds (distance) C4'-P energy: -84.472
bonds (distance) P-C4' energy: -90.427
flat angles C4'-P-C4' energy: -105.561
flat angles P-C4'-P energy: -70.829
tors. eta vs tors. theta energy: -92.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -1397.618579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.618579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.618579 (E_RNA)
where:
Base-Base interactions energy: -999.350
where: short stacking energy: -402.643
Base-Backbone interact. energy: -1.426
local terms energy: -396.842957
where:
bonds (distance) C4'-P energy: -60.655
bonds (distance) P-C4' energy: -89.535
flat angles C4'-P-C4' energy: -88.492
flat angles P-C4'-P energy: -59.696
tors. eta vs tors. theta energy: -98.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -1217.503455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.503455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.503455 (E_RNA)
where:
Base-Base interactions energy: -841.309
where: short stacking energy: -347.265
Base-Backbone interact. energy: 5.030
local terms energy: -381.223909
where:
bonds (distance) C4'-P energy: -80.096
bonds (distance) P-C4' energy: -82.915
flat angles C4'-P-C4' energy: -88.298
flat angles P-C4'-P energy: -59.518
tors. eta vs tors. theta energy: -70.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -1081.600668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.600668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.600668 (E_RNA)
where:
Base-Base interactions energy: -718.800
where: short stacking energy: -302.048
Base-Backbone interact. energy: -1.244
local terms energy: -361.556264
where:
bonds (distance) C4'-P energy: -85.803
bonds (distance) P-C4' energy: -89.912
flat angles C4'-P-C4' energy: -75.504
flat angles P-C4'-P energy: -54.953
tors. eta vs tors. theta energy: -55.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -773.611178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -773.611178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -773.611178 (E_RNA)
where:
Base-Base interactions energy: -444.462
where: short stacking energy: -211.522
Base-Backbone interact. energy: -0.783
local terms energy: -328.366346
where:
bonds (distance) C4'-P energy: -74.100
bonds (distance) P-C4' energy: -88.930
flat angles C4'-P-C4' energy: -84.223
flat angles P-C4'-P energy: -67.974
tors. eta vs tors. theta energy: -13.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -1947.681621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.681621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.681621 (E_RNA)
where:
Base-Base interactions energy: -1375.873
where: short stacking energy: -585.080
Base-Backbone interact. energy: -1.990
local terms energy: -569.819119
where:
bonds (distance) C4'-P energy: -99.867
bonds (distance) P-C4' energy: -111.036
flat angles C4'-P-C4' energy: -120.545
flat angles P-C4'-P energy: -79.383
tors. eta vs tors. theta energy: -158.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -1891.931326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.931326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.931326 (E_RNA)
where:
Base-Base interactions energy: -1341.114
where: short stacking energy: -544.443
Base-Backbone interact. energy: -1.059
local terms energy: -549.758484
where:
bonds (distance) C4'-P energy: -102.617
bonds (distance) P-C4' energy: -90.073
flat angles C4'-P-C4' energy: -117.910
flat angles P-C4'-P energy: -82.366
tors. eta vs tors. theta energy: -156.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -1860.709523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.709523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.709523 (E_RNA)
where:
Base-Base interactions energy: -1344.150
where: short stacking energy: -519.825
Base-Backbone interact. energy: 4.229
local terms energy: -520.787881
where:
bonds (distance) C4'-P energy: -85.480
bonds (distance) P-C4' energy: -99.234
flat angles C4'-P-C4' energy: -110.554
flat angles P-C4'-P energy: -83.382
tors. eta vs tors. theta energy: -142.138
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: 8
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -1725.126041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.126041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.126041 (E_RNA)
where:
Base-Base interactions energy: -1223.455
where: short stacking energy: -499.736
Base-Backbone interact. energy: -0.621
local terms energy: -501.049920
where:
bonds (distance) C4'-P energy: -84.642
bonds (distance) P-C4' energy: -89.896
flat angles C4'-P-C4' energy: -117.525
flat angles P-C4'-P energy: -70.140
tors. eta vs tors. theta energy: -138.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -1663.904039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.904039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.904039 (E_RNA)
where:
Base-Base interactions energy: -1195.979
where: short stacking energy: -499.302
Base-Backbone interact. energy: -1.676
local terms energy: -466.249390
where:
bonds (distance) C4'-P energy: -83.494
bonds (distance) P-C4' energy: -86.884
flat angles C4'-P-C4' energy: -107.369
flat angles P-C4'-P energy: -66.020
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: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -1433.507029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.507029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.507029 (E_RNA)
where:
Base-Base interactions energy: -998.399
where: short stacking energy: -386.422
Base-Backbone interact. energy: -4.120
local terms energy: -430.987942
where:
bonds (distance) C4'-P energy: -72.830
bonds (distance) P-C4' energy: -98.581
flat angles C4'-P-C4' energy: -93.881
flat angles P-C4'-P energy: -67.506
tors. eta vs tors. theta energy: -98.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -1391.223816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.223816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.223816 (E_RNA)
where:
Base-Base interactions energy: -947.812
where: short stacking energy: -398.797
Base-Backbone interact. energy: 0.939
local terms energy: -444.350539
where:
bonds (distance) C4'-P energy: -85.885
bonds (distance) P-C4' energy: -84.494
flat angles C4'-P-C4' energy: -108.589
flat angles P-C4'-P energy: -60.762
tors. eta vs tors. theta energy: -104.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -1247.375324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.375324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.375324 (E_RNA)
where:
Base-Base interactions energy: -862.993
where: short stacking energy: -370.916
Base-Backbone interact. energy: 0.049
local terms energy: -384.431667
where:
bonds (distance) C4'-P energy: -85.202
bonds (distance) P-C4' energy: -85.654
flat angles C4'-P-C4' energy: -82.165
flat angles P-C4'-P energy: -56.501
tors. eta vs tors. theta energy: -74.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -1104.765590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.765590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.765590 (E_RNA)
where:
Base-Base interactions energy: -725.245
where: short stacking energy: -284.789
Base-Backbone interact. energy: -2.065
local terms energy: -377.456171
where:
bonds (distance) C4'-P energy: -82.444
bonds (distance) P-C4' energy: -98.970
flat angles C4'-P-C4' energy: -80.945
flat angles P-C4'-P energy: -64.957
tors. eta vs tors. theta energy: -50.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -759.255674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.255674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.255674 (E_RNA)
where:
Base-Base interactions energy: -451.662
where: short stacking energy: -228.691
Base-Backbone interact. energy: 2.387
local terms energy: -309.980814
where:
bonds (distance) C4'-P energy: -93.079
bonds (distance) P-C4' energy: -93.545
flat angles C4'-P-C4' energy: -62.812
flat angles P-C4'-P energy: -47.510
tors. eta vs tors. theta energy: -13.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -1952.735679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.735679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.735679 (E_RNA)
where:
Base-Base interactions energy: -1378.537
where: short stacking energy: -561.575
Base-Backbone interact. energy: -3.082
local terms energy: -571.117427
where:
bonds (distance) C4'-P energy: -99.506
bonds (distance) P-C4' energy: -113.373
flat angles C4'-P-C4' energy: -119.811
flat angles P-C4'-P energy: -81.051
tors. eta vs tors. theta energy: -157.377
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: 2, replica: 1
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -1868.480021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.480021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.480021 (E_RNA)
where:
Base-Base interactions energy: -1325.756
where: short stacking energy: -532.084
Base-Backbone interact. energy: -2.729
local terms energy: -539.994483
where:
bonds (distance) C4'-P energy: -94.229
bonds (distance) P-C4' energy: -100.999
flat angles C4'-P-C4' energy: -114.780
flat angles P-C4'-P energy: -74.130
tors. eta vs tors. theta energy: -155.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -1840.279169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1840.279169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1840.279169 (E_RNA)
where:
Base-Base interactions energy: -1344.132
where: short stacking energy: -535.865
Base-Backbone interact. energy: 0.711
local terms energy: -496.858556
where:
bonds (distance) C4'-P energy: -77.311
bonds (distance) P-C4' energy: -96.354
flat angles C4'-P-C4' energy: -107.519
flat angles P-C4'-P energy: -74.047
tors. eta vs tors. theta energy: -141.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -1731.697646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.697646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.697646 (E_RNA)
where:
Base-Base interactions energy: -1231.655
where: short stacking energy: -505.140
Base-Backbone interact. energy: -1.402
local terms energy: -498.640941
where:
bonds (distance) C4'-P energy: -91.970
bonds (distance) P-C4' energy: -89.607
flat angles C4'-P-C4' energy: -104.818
flat angles P-C4'-P energy: -74.609
tors. eta vs tors. theta energy: -137.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -1700.098279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.098279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.098279 (E_RNA)
where:
Base-Base interactions energy: -1198.185
where: short stacking energy: -484.961
Base-Backbone interact. energy: -1.554
local terms energy: -500.359209
where:
bonds (distance) C4'-P energy: -104.004
bonds (distance) P-C4' energy: -89.057
flat angles C4'-P-C4' energy: -101.207
flat angles P-C4'-P energy: -75.828
tors. eta vs tors. theta energy: -130.263
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: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -1431.050583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.050583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.050583 (E_RNA)
where:
Base-Base interactions energy: -1003.352
where: short stacking energy: -393.346
Base-Backbone interact. energy: -0.460
local terms energy: -427.238578
where:
bonds (distance) C4'-P energy: -92.149
bonds (distance) P-C4' energy: -82.878
flat angles C4'-P-C4' energy: -91.436
flat angles P-C4'-P energy: -55.892
tors. eta vs tors. theta energy: -104.883
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: 9
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -1358.464687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.464687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.464687 (E_RNA)
where:
Base-Base interactions energy: -950.917
where: short stacking energy: -413.703
Base-Backbone interact. energy: -1.657
local terms energy: -405.890422
where:
bonds (distance) C4'-P energy: -83.456
bonds (distance) P-C4' energy: -102.094
flat angles C4'-P-C4' energy: -87.360
flat angles P-C4'-P energy: -47.600
tors. eta vs tors. theta energy: -85.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -1230.760658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.760658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.760658 (E_RNA)
where:
Base-Base interactions energy: -853.314
where: short stacking energy: -355.362
Base-Backbone interact. energy: 4.142
local terms energy: -381.588961
where:
bonds (distance) C4'-P energy: -83.115
bonds (distance) P-C4' energy: -83.177
flat angles C4'-P-C4' energy: -84.516
flat angles P-C4'-P energy: -56.966
tors. eta vs tors. theta energy: -73.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -1081.168744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.168744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.168744 (E_RNA)
where:
Base-Base interactions energy: -724.713
where: short stacking energy: -306.137
Base-Backbone interact. energy: -1.835
local terms energy: -354.621056
where:
bonds (distance) C4'-P energy: -82.791
bonds (distance) P-C4' energy: -89.175
flat angles C4'-P-C4' energy: -84.959
flat angles P-C4'-P energy: -44.055
tors. eta vs tors. theta energy: -53.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -770.201665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.201665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.201665 (E_RNA)
where:
Base-Base interactions energy: -458.939
where: short stacking energy: -228.063
Base-Backbone interact. energy: -0.825
local terms energy: -310.436892
where:
bonds (distance) C4'-P energy: -61.393
bonds (distance) P-C4' energy: -92.350
flat angles C4'-P-C4' energy: -90.479
flat angles P-C4'-P energy: -40.592
tors. eta vs tors. theta energy: -25.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -1922.654290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.654290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.654290 (E_RNA)
where:
Base-Base interactions energy: -1341.520
where: short stacking energy: -550.262
Base-Backbone interact. energy: -2.158
local terms energy: -578.976255
where:
bonds (distance) C4'-P energy: -108.576
bonds (distance) P-C4' energy: -106.288
flat angles C4'-P-C4' energy: -123.026
flat angles P-C4'-P energy: -80.158
tors. eta vs tors. theta energy: -160.928
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: 2, replica: 1
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -1864.837988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.837988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.837988 (E_RNA)
where:
Base-Base interactions energy: -1329.813
where: short stacking energy: -549.707
Base-Backbone interact. energy: 0.348
local terms energy: -535.373057
where:
bonds (distance) C4'-P energy: -91.060
bonds (distance) P-C4' energy: -95.896
flat angles C4'-P-C4' energy: -114.762
flat angles P-C4'-P energy: -85.835
tors. eta vs tors. theta energy: -147.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -1812.619448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.619448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.619448 (E_RNA)
where:
Base-Base interactions energy: -1286.674
where: short stacking energy: -518.096
Base-Backbone interact. energy: 0.787
local terms energy: -526.731755
where:
bonds (distance) C4'-P energy: -105.598
bonds (distance) P-C4' energy: -79.028
flat angles C4'-P-C4' energy: -116.593
flat angles P-C4'-P energy: -76.755
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: 4, replica: 8
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -1719.690404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.690404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.690404 (E_RNA)
where:
Base-Base interactions energy: -1212.082
where: short stacking energy: -491.983
Base-Backbone interact. energy: 3.197
local terms energy: -510.805228
where:
bonds (distance) C4'-P energy: -106.029
bonds (distance) P-C4' energy: -97.848
flat angles C4'-P-C4' energy: -102.935
flat angles P-C4'-P energy: -73.081
tors. eta vs tors. theta energy: -130.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -1675.366989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.366989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.366989 (E_RNA)
where:
Base-Base interactions energy: -1175.371
where: short stacking energy: -482.629
Base-Backbone interact. energy: 3.158
local terms energy: -503.154441
where:
bonds (distance) C4'-P energy: -89.164
bonds (distance) P-C4' energy: -102.591
flat angles C4'-P-C4' energy: -117.007
flat angles P-C4'-P energy: -69.238
tors. eta vs tors. theta energy: -125.154
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: 7
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -1470.532659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.532659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.532659 (E_RNA)
where:
Base-Base interactions energy: -1014.902
where: short stacking energy: -444.598
Base-Backbone interact. energy: -1.209
local terms energy: -454.421595
where:
bonds (distance) C4'-P energy: -81.832
bonds (distance) P-C4' energy: -96.625
flat angles C4'-P-C4' energy: -111.205
flat angles P-C4'-P energy: -56.401
tors. eta vs tors. theta energy: -108.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -1366.655195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1366.655195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1366.655195 (E_RNA)
where:
Base-Base interactions energy: -969.762
where: short stacking energy: -416.624
Base-Backbone interact. energy: -1.110
local terms energy: -395.783199
where:
bonds (distance) C4'-P energy: -75.392
bonds (distance) P-C4' energy: -74.466
flat angles C4'-P-C4' energy: -94.371
flat angles P-C4'-P energy: -60.647
tors. eta vs tors. theta energy: -90.907
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: 8, replica: 5
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -1271.064285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1271.064285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1271.064285 (E_RNA)
where:
Base-Base interactions energy: -839.659
where: short stacking energy: -355.566
Base-Backbone interact. energy: -0.126
local terms energy: -431.278764
where:
bonds (distance) C4'-P energy: -96.783
bonds (distance) P-C4' energy: -85.581
flat angles C4'-P-C4' energy: -93.134
flat angles P-C4'-P energy: -69.712
tors. eta vs tors. theta energy: -86.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -1065.416836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.416836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.416836 (E_RNA)
where:
Base-Base interactions energy: -694.184
where: short stacking energy: -304.515
Base-Backbone interact. energy: -1.595
local terms energy: -369.638731
where:
bonds (distance) C4'-P energy: -70.855
bonds (distance) P-C4' energy: -90.392
flat angles C4'-P-C4' energy: -86.797
flat angles P-C4'-P energy: -62.762
tors. eta vs tors. theta energy: -58.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -784.280160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.280160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.280160 (E_RNA)
where:
Base-Base interactions energy: -438.658
where: short stacking energy: -224.889
Base-Backbone interact. energy: 2.155
local terms energy: -347.776981
where:
bonds (distance) C4'-P energy: -75.383
bonds (distance) P-C4' energy: -99.052
flat angles C4'-P-C4' energy: -89.696
flat angles P-C4'-P energy: -52.629
tors. eta vs tors. theta energy: -31.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -1961.051662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.051662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.051662 (E_RNA)
where:
Base-Base interactions energy: -1377.467
where: short stacking energy: -582.390
Base-Backbone interact. energy: -2.170
local terms energy: -581.415324
where:
bonds (distance) C4'-P energy: -105.418
bonds (distance) P-C4' energy: -114.733
flat angles C4'-P-C4' energy: -116.580
flat angles P-C4'-P energy: -80.489
tors. eta vs tors. theta energy: -164.196
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: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -1873.627795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.627795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.627795 (E_RNA)
where:
Base-Base interactions energy: -1330.732
where: short stacking energy: -529.769
Base-Backbone interact. energy: 1.138
local terms energy: -544.033556
where:
bonds (distance) C4'-P energy: -101.841
bonds (distance) P-C4' energy: -99.330
flat angles C4'-P-C4' energy: -119.563
flat angles P-C4'-P energy: -74.249
tors. eta vs tors. theta energy: -149.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -1841.939275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1841.939275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1841.939275 (E_RNA)
where:
Base-Base interactions energy: -1319.411
where: short stacking energy: -531.294
Base-Backbone interact. energy: 2.005
local terms energy: -524.532883
where:
bonds (distance) C4'-P energy: -100.564
bonds (distance) P-C4' energy: -101.135
flat angles C4'-P-C4' energy: -103.482
flat angles P-C4'-P energy: -76.320
tors. eta vs tors. theta energy: -143.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -1728.686341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.686341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.686341 (E_RNA)
where:
Base-Base interactions energy: -1256.368
where: short stacking energy: -508.100
Base-Backbone interact. energy: 7.982
local terms energy: -480.300299
where:
bonds (distance) C4'-P energy: -84.674
bonds (distance) P-C4' energy: -77.852
flat angles C4'-P-C4' energy: -106.061
flat angles P-C4'-P energy: -83.412
tors. eta vs tors. theta energy: -128.302
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: 3
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -1620.995252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.995252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.995252 (E_RNA)
where:
Base-Base interactions energy: -1147.404
where: short stacking energy: -456.695
Base-Backbone interact. energy: 1.265
local terms energy: -474.857052
where:
bonds (distance) C4'-P energy: -84.560
bonds (distance) P-C4' energy: -85.788
flat angles C4'-P-C4' energy: -115.382
flat angles P-C4'-P energy: -65.312
tors. eta vs tors. theta energy: -123.816
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: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -1455.608066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.608066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.608066 (E_RNA)
where:
Base-Base interactions energy: -988.049
where: short stacking energy: -412.779
Base-Backbone interact. energy: -1.817
local terms energy: -465.741842
where:
bonds (distance) C4'-P energy: -91.953
bonds (distance) P-C4' energy: -106.530
flat angles C4'-P-C4' energy: -96.916
flat angles P-C4'-P energy: -66.788
tors. eta vs tors. theta energy: -103.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -1425.227783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.227783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.227783 (E_RNA)
where:
Base-Base interactions energy: -965.224
where: short stacking energy: -411.931
Base-Backbone interact. energy: -2.144
local terms energy: -457.859736
where:
bonds (distance) C4'-P energy: -99.126
bonds (distance) P-C4' energy: -101.088
flat angles C4'-P-C4' energy: -85.078
flat angles P-C4'-P energy: -68.414
tors. eta vs tors. theta energy: -104.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -1287.823836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.823836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.823836 (E_RNA)
where:
Base-Base interactions energy: -850.900
where: short stacking energy: -369.725
Base-Backbone interact. energy: -4.409
local terms energy: -432.514355
where:
bonds (distance) C4'-P energy: -84.418
bonds (distance) P-C4' energy: -78.481
flat angles C4'-P-C4' energy: -107.209
flat angles P-C4'-P energy: -69.723
tors. eta vs tors. theta energy: -92.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -1086.043821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.043821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.043821 (E_RNA)
where:
Base-Base interactions energy: -710.322
where: short stacking energy: -303.302
Base-Backbone interact. energy: -1.947
local terms energy: -373.775504
where:
bonds (distance) C4'-P energy: -86.690
bonds (distance) P-C4' energy: -85.979
flat angles C4'-P-C4' energy: -95.080
flat angles P-C4'-P energy: -51.374
tors. eta vs tors. theta energy: -54.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -750.696625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -750.696625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -750.696625 (E_RNA)
where:
Base-Base interactions energy: -425.360
where: short stacking energy: -228.490
Base-Backbone interact. energy: -2.748
local terms energy: -322.589341
where:
bonds (distance) C4'-P energy: -73.361
bonds (distance) P-C4' energy: -93.588
flat angles C4'-P-C4' energy: -83.144
flat angles P-C4'-P energy: -56.668
tors. eta vs tors. theta energy: -15.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -1964.807065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.807065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.807065 (E_RNA)
where:
Base-Base interactions energy: -1382.838
where: short stacking energy: -560.843
Base-Backbone interact. energy: 2.738
local terms energy: -584.706926
where:
bonds (distance) C4'-P energy: -108.285
bonds (distance) P-C4' energy: -114.810
flat angles C4'-P-C4' energy: -126.273
flat angles P-C4'-P energy: -75.221
tors. eta vs tors. theta energy: -160.119
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: 1
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -1889.774248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.774248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.774248 (E_RNA)
where:
Base-Base interactions energy: -1358.211
where: short stacking energy: -536.319
Base-Backbone interact. energy: 0.763
local terms energy: -532.326842
where:
bonds (distance) C4'-P energy: -91.939
bonds (distance) P-C4' energy: -97.001
flat angles C4'-P-C4' energy: -118.569
flat angles P-C4'-P energy: -73.719
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: 3, replica: 2
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -1809.909484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.909484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.909484 (E_RNA)
where:
Base-Base interactions energy: -1285.722
where: short stacking energy: -500.465
Base-Backbone interact. energy: -1.433
local terms energy: -522.754865
where:
bonds (distance) C4'-P energy: -85.875
bonds (distance) P-C4' energy: -96.257
flat angles C4'-P-C4' energy: -119.425
flat angles P-C4'-P energy: -79.841
tors. eta vs tors. theta energy: -141.356
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: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -1710.860663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.860663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.860663 (E_RNA)
where:
Base-Base interactions energy: -1184.312
where: short stacking energy: -498.166
Base-Backbone interact. energy: 6.243
local terms energy: -532.791691
where:
bonds (distance) C4'-P energy: -101.911
bonds (distance) P-C4' energy: -99.997
flat angles C4'-P-C4' energy: -116.149
flat angles P-C4'-P energy: -75.952
tors. eta vs tors. theta energy: -138.783
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: 3
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -1651.431551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.431551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.431551 (E_RNA)
where:
Base-Base interactions energy: -1147.841
where: short stacking energy: -476.387
Base-Backbone interact. energy: -3.627
local terms energy: -499.963513
where:
bonds (distance) C4'-P energy: -89.737
bonds (distance) P-C4' energy: -101.190
flat angles C4'-P-C4' energy: -109.623
flat angles P-C4'-P energy: -78.698
tors. eta vs tors. theta energy: -120.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -1460.560035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.560035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.560035 (E_RNA)
where:
Base-Base interactions energy: -1016.097
where: short stacking energy: -414.019
Base-Backbone interact. energy: 1.339
local terms energy: -445.802575
where:
bonds (distance) C4'-P energy: -94.920
bonds (distance) P-C4' energy: -83.487
flat angles C4'-P-C4' energy: -98.872
flat angles P-C4'-P energy: -63.657
tors. eta vs tors. theta energy: -104.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -1454.342068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.342068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.342068 (E_RNA)
where:
Base-Base interactions energy: -1008.471
where: short stacking energy: -410.099
Base-Backbone interact. energy: -1.277
local terms energy: -444.594277
where:
bonds (distance) C4'-P energy: -76.358
bonds (distance) P-C4' energy: -87.253
flat angles C4'-P-C4' energy: -100.051
flat angles P-C4'-P energy: -70.350
tors. eta vs tors. theta energy: -110.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -1244.019976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.019976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.019976 (E_RNA)
where:
Base-Base interactions energy: -837.610
where: short stacking energy: -342.706
Base-Backbone interact. energy: -1.535
local terms energy: -404.875361
where:
bonds (distance) C4'-P energy: -75.256
bonds (distance) P-C4' energy: -92.306
flat angles C4'-P-C4' energy: -98.133
flat angles P-C4'-P energy: -72.768
tors. eta vs tors. theta energy: -66.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -1133.325916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1133.325916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1133.325916 (E_RNA)
where:
Base-Base interactions energy: -742.921
where: short stacking energy: -332.837
Base-Backbone interact. energy: 0.232
local terms energy: -390.637536
where:
bonds (distance) C4'-P energy: -84.833
bonds (distance) P-C4' energy: -87.175
flat angles C4'-P-C4' energy: -98.726
flat angles P-C4'-P energy: -47.987
tors. eta vs tors. theta energy: -71.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -693.902643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.902643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.902643 (E_RNA)
where:
Base-Base interactions energy: -412.360
where: short stacking energy: -196.456
Base-Backbone interact. energy: -3.365
local terms energy: -278.178396
where:
bonds (distance) C4'-P energy: -85.108
bonds (distance) P-C4' energy: -72.243
flat angles C4'-P-C4' energy: -70.265
flat angles P-C4'-P energy: -45.282
tors. eta vs tors. theta energy: -5.280
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: 4
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -1932.682549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.682549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.682549 (E_RNA)
where:
Base-Base interactions energy: -1380.191
where: short stacking energy: -561.589
Base-Backbone interact. energy: 6.668
local terms energy: -559.159148
where:
bonds (distance) C4'-P energy: -103.230
bonds (distance) P-C4' energy: -102.871
flat angles C4'-P-C4' energy: -119.755
flat angles P-C4'-P energy: -78.240
tors. eta vs tors. theta energy: -155.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -1853.671831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.671831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.671831 (E_RNA)
where:
Base-Base interactions energy: -1319.977
where: short stacking energy: -538.657
Base-Backbone interact. energy: 0.197
local terms energy: -533.891893
where:
bonds (distance) C4'-P energy: -90.277
bonds (distance) P-C4' energy: -102.490
flat angles C4'-P-C4' energy: -116.410
flat angles P-C4'-P energy: -82.245
tors. eta vs tors. theta energy: -142.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -1808.115525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.115525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.115525 (E_RNA)
where:
Base-Base interactions energy: -1283.104
where: short stacking energy: -489.933
Base-Backbone interact. energy: -2.607
local terms energy: -522.404761
where:
bonds (distance) C4'-P energy: -97.614
bonds (distance) P-C4' energy: -105.225
flat angles C4'-P-C4' energy: -110.724
flat angles P-C4'-P energy: -73.288
tors. eta vs tors. theta energy: -135.553
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: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -1730.973727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.973727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.973727 (E_RNA)
where:
Base-Base interactions energy: -1231.676
where: short stacking energy: -495.896
Base-Backbone interact. energy: 0.335
local terms energy: -499.632952
where:
bonds (distance) C4'-P energy: -90.869
bonds (distance) P-C4' energy: -94.370
flat angles C4'-P-C4' energy: -103.473
flat angles P-C4'-P energy: -69.728
tors. eta vs tors. theta energy: -141.194
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: 257
Temperature: 1.100000
Total energy: -1629.356881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.356881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.356881 (E_RNA)
where:
Base-Base interactions energy: -1141.761
where: short stacking energy: -451.624
Base-Backbone interact. energy: -0.823
local terms energy: -486.773033
where:
bonds (distance) C4'-P energy: -87.303
bonds (distance) P-C4' energy: -93.162
flat angles C4'-P-C4' energy: -110.017
flat angles P-C4'-P energy: -80.331
tors. eta vs tors. theta energy: -115.960
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: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -1480.724713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.724713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.724713 (E_RNA)
where:
Base-Base interactions energy: -1055.657
where: short stacking energy: -432.886
Base-Backbone interact. energy: -1.799
local terms energy: -423.269053
where:
bonds (distance) C4'-P energy: -60.530
bonds (distance) P-C4' energy: -68.032
flat angles C4'-P-C4' energy: -113.301
flat angles P-C4'-P energy: -66.460
tors. eta vs tors. theta energy: -114.946
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: 9
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -1402.389739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.389739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.389739 (E_RNA)
where:
Base-Base interactions energy: -947.650
where: short stacking energy: -414.010
Base-Backbone interact. energy: 2.146
local terms energy: -456.885403
where:
bonds (distance) C4'-P energy: -92.902
bonds (distance) P-C4' energy: -94.515
flat angles C4'-P-C4' energy: -89.055
flat angles P-C4'-P energy: -66.409
tors. eta vs tors. theta energy: -114.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -1266.442998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.442998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.442998 (E_RNA)
where:
Base-Base interactions energy: -884.104
where: short stacking energy: -367.842
Base-Backbone interact. energy: -0.110
local terms energy: -382.228809
where:
bonds (distance) C4'-P energy: -65.846
bonds (distance) P-C4' energy: -84.554
flat angles C4'-P-C4' energy: -86.411
flat angles P-C4'-P energy: -66.564
tors. eta vs tors. theta energy: -78.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -1103.608136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.608136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.608136 (E_RNA)
where:
Base-Base interactions energy: -736.050
where: short stacking energy: -304.270
Base-Backbone interact. energy: -0.967
local terms energy: -366.591354
where:
bonds (distance) C4'-P energy: -76.045
bonds (distance) P-C4' energy: -82.154
flat angles C4'-P-C4' energy: -88.827
flat angles P-C4'-P energy: -52.943
tors. eta vs tors. theta energy: -66.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -735.814476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -735.814476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -735.814476 (E_RNA)
where:
Base-Base interactions energy: -424.137
where: short stacking energy: -217.671
Base-Backbone interact. energy: -1.107
local terms energy: -310.570402
where:
bonds (distance) C4'-P energy: -61.061
bonds (distance) P-C4' energy: -88.536
flat angles C4'-P-C4' energy: -91.569
flat angles P-C4'-P energy: -40.741
tors. eta vs tors. theta energy: -28.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -1909.692727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.692727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.692727 (E_RNA)
where:
Base-Base interactions energy: -1344.559
where: short stacking energy: -557.422
Base-Backbone interact. energy: -1.473
local terms energy: -563.661060
where:
bonds (distance) C4'-P energy: -103.460
bonds (distance) P-C4' energy: -101.902
flat angles C4'-P-C4' energy: -119.586
flat angles P-C4'-P energy: -81.062
tors. eta vs tors. theta energy: -157.651
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: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -1847.305088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.305088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.305088 (E_RNA)
where:
Base-Base interactions energy: -1314.611
where: short stacking energy: -522.599
Base-Backbone interact. energy: -1.720
local terms energy: -530.974056
where:
bonds (distance) C4'-P energy: -92.765
bonds (distance) P-C4' energy: -95.796
flat angles C4'-P-C4' energy: -117.474
flat angles P-C4'-P energy: -71.771
tors. eta vs tors. theta energy: -153.169
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: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -1808.773384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.773384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.773384 (E_RNA)
where:
Base-Base interactions energy: -1299.400
where: short stacking energy: -529.492
Base-Backbone interact. energy: 3.216
local terms energy: -512.590165
where:
bonds (distance) C4'-P energy: -80.783
bonds (distance) P-C4' energy: -107.276
flat angles C4'-P-C4' energy: -104.691
flat angles P-C4'-P energy: -71.434
tors. eta vs tors. theta energy: -148.406
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: 8
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -1723.481948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.481948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.481948 (E_RNA)
where:
Base-Base interactions energy: -1235.749
where: short stacking energy: -497.727
Base-Backbone interact. energy: -2.682
local terms energy: -485.050622
where:
bonds (distance) C4'-P energy: -83.172
bonds (distance) P-C4' energy: -98.711
flat angles C4'-P-C4' energy: -112.924
flat angles P-C4'-P energy: -59.656
tors. eta vs tors. theta energy: -130.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -1668.985021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1668.985021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1668.985021 (E_RNA)
where:
Base-Base interactions energy: -1177.630
where: short stacking energy: -481.999
Base-Backbone interact. energy: -0.204
local terms energy: -491.151498
where:
bonds (distance) C4'-P energy: -103.278
bonds (distance) P-C4' energy: -85.040
flat angles C4'-P-C4' energy: -110.415
flat angles P-C4'-P energy: -66.743
tors. eta vs tors. theta energy: -125.675
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: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -1483.660639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.660639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.660639 (E_RNA)
where:
Base-Base interactions energy: -1046.807
where: short stacking energy: -429.069
Base-Backbone interact. energy: 0.788
local terms energy: -437.641096
where:
bonds (distance) C4'-P energy: -75.073
bonds (distance) P-C4' energy: -99.429
flat angles C4'-P-C4' energy: -97.483
flat angles P-C4'-P energy: -64.836
tors. eta vs tors. theta energy: -100.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -1459.184039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.184039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.184039 (E_RNA)
where:
Base-Base interactions energy: -1011.441
where: short stacking energy: -449.383
Base-Backbone interact. energy: 0.102
local terms energy: -447.845285
where:
bonds (distance) C4'-P energy: -91.161
bonds (distance) P-C4' energy: -81.455
flat angles C4'-P-C4' energy: -103.909
flat angles P-C4'-P energy: -55.436
tors. eta vs tors. theta energy: -115.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -1294.340232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.340232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.340232 (E_RNA)
where:
Base-Base interactions energy: -868.363
where: short stacking energy: -362.245
Base-Backbone interact. energy: -3.764
local terms energy: -422.213092
where:
bonds (distance) C4'-P energy: -103.944
bonds (distance) P-C4' energy: -73.030
flat angles C4'-P-C4' energy: -100.101
flat angles P-C4'-P energy: -62.575
tors. eta vs tors. theta energy: -82.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -1045.829723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1045.829723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1045.829723 (E_RNA)
where:
Base-Base interactions energy: -685.403
where: short stacking energy: -319.773
Base-Backbone interact. energy: 3.485
local terms energy: -363.911949
where:
bonds (distance) C4'-P energy: -69.983
bonds (distance) P-C4' energy: -89.847
flat angles C4'-P-C4' energy: -80.003
flat angles P-C4'-P energy: -64.684
tors. eta vs tors. theta energy: -59.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -754.636259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.636259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.636259 (E_RNA)
where:
Base-Base interactions energy: -444.315
where: short stacking energy: -197.232
Base-Backbone interact. energy: 2.449
local terms energy: -312.770424
where:
bonds (distance) C4'-P energy: -76.758
bonds (distance) P-C4' energy: -81.822
flat angles C4'-P-C4' energy: -79.347
flat angles P-C4'-P energy: -44.941
tors. eta vs tors. theta energy: -29.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -1919.963305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.963305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.963305 (E_RNA)
where:
Base-Base interactions energy: -1365.735
where: short stacking energy: -547.725
Base-Backbone interact. energy: 9.677
local terms energy: -563.905669
where:
bonds (distance) C4'-P energy: -95.366
bonds (distance) P-C4' energy: -109.351
flat angles C4'-P-C4' energy: -121.616
flat angles P-C4'-P energy: -81.406
tors. eta vs tors. theta energy: -156.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -1842.160095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.160095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.160095 (E_RNA)
where:
Base-Base interactions energy: -1322.416
where: short stacking energy: -513.715
Base-Backbone interact. energy: -0.450
local terms energy: -519.294578
where:
bonds (distance) C4'-P energy: -105.155
bonds (distance) P-C4' energy: -87.976
flat angles C4'-P-C4' energy: -110.995
flat angles P-C4'-P energy: -80.554
tors. eta vs tors. theta energy: -134.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -1790.116402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.116402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.116402 (E_RNA)
where:
Base-Base interactions energy: -1243.994
where: short stacking energy: -491.713
Base-Backbone interact. energy: -2.742
local terms energy: -543.380335
where:
bonds (distance) C4'-P energy: -102.734
bonds (distance) P-C4' energy: -103.591
flat angles C4'-P-C4' energy: -111.151
flat angles P-C4'-P energy: -86.702
tors. eta vs tors. theta energy: -139.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -1741.289081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.289081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.289081 (E_RNA)
where:
Base-Base interactions energy: -1235.251
where: short stacking energy: -509.102
Base-Backbone interact. energy: -0.223
local terms energy: -505.815287
where:
bonds (distance) C4'-P energy: -89.067
bonds (distance) P-C4' energy: -112.609
flat angles C4'-P-C4' energy: -104.486
flat angles P-C4'-P energy: -70.119
tors. eta vs tors. theta energy: -129.535
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: 3
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -1667.689165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.689165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.689165 (E_RNA)
where:
Base-Base interactions energy: -1170.647
where: short stacking energy: -504.084
Base-Backbone interact. energy: -0.525
local terms energy: -496.517427
where:
bonds (distance) C4'-P energy: -95.039
bonds (distance) P-C4' energy: -93.951
flat angles C4'-P-C4' energy: -106.292
flat angles P-C4'-P energy: -72.269
tors. eta vs tors. theta energy: -128.966
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: 6, replica: 9
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -1406.714559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.714559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.714559 (E_RNA)
where:
Base-Base interactions energy: -987.376
where: short stacking energy: -414.195
Base-Backbone interact. energy: -1.550
local terms energy: -417.788094
where:
bonds (distance) C4'-P energy: -75.517
bonds (distance) P-C4' energy: -94.663
flat angles C4'-P-C4' energy: -99.711
flat angles P-C4'-P energy: -48.543
tors. eta vs tors. theta energy: -99.354
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: 259
Temperature: 1.200000
Total energy: -1410.906525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.906525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.906525 (E_RNA)
where:
Base-Base interactions energy: -972.904
where: short stacking energy: -394.264
Base-Backbone interact. energy: -3.546
local terms energy: -434.456722
where:
bonds (distance) C4'-P energy: -88.035
bonds (distance) P-C4' energy: -93.480
flat angles C4'-P-C4' energy: -88.717
flat angles P-C4'-P energy: -67.197
tors. eta vs tors. theta energy: -97.028
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: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -1326.995524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.995524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.995524 (E_RNA)
where:
Base-Base interactions energy: -890.357
where: short stacking energy: -397.000
Base-Backbone interact. energy: -0.007
local terms energy: -436.632084
where:
bonds (distance) C4'-P energy: -72.005
bonds (distance) P-C4' energy: -93.641
flat angles C4'-P-C4' energy: -100.528
flat angles P-C4'-P energy: -64.686
tors. eta vs tors. theta energy: -105.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -1044.818432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.818432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.818432 (E_RNA)
where:
Base-Base interactions energy: -684.855
where: short stacking energy: -325.576
Base-Backbone interact. energy: -2.674
local terms energy: -357.289772
where:
bonds (distance) C4'-P energy: -67.678
bonds (distance) P-C4' energy: -82.527
flat angles C4'-P-C4' energy: -89.397
flat angles P-C4'-P energy: -51.854
tors. eta vs tors. theta energy: -65.835
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: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -725.011267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.011267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.011267 (E_RNA)
where:
Base-Base interactions energy: -426.654
where: short stacking energy: -237.034
Base-Backbone interact. energy: 2.235
local terms energy: -300.592073
where:
bonds (distance) C4'-P energy: -90.852
bonds (distance) P-C4' energy: -72.346
flat angles C4'-P-C4' energy: -60.715
flat angles P-C4'-P energy: -48.165
tors. eta vs tors. theta energy: -28.514
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: 4
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -1902.744116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.744116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.744116 (E_RNA)
where:
Base-Base interactions energy: -1365.330
where: short stacking energy: -548.538
Base-Backbone interact. energy: 1.536
local terms energy: -538.950498
where:
bonds (distance) C4'-P energy: -97.634
bonds (distance) P-C4' energy: -98.781
flat angles C4'-P-C4' energy: -114.497
flat angles P-C4'-P energy: -79.336
tors. eta vs tors. theta energy: -148.702
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: 1
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -1861.821045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.821045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.821045 (E_RNA)
where:
Base-Base interactions energy: -1329.615
where: short stacking energy: -535.111
Base-Backbone interact. energy: 0.970
local terms energy: -533.176292
where:
bonds (distance) C4'-P energy: -89.328
bonds (distance) P-C4' energy: -108.168
flat angles C4'-P-C4' energy: -115.198
flat angles P-C4'-P energy: -77.248
tors. eta vs tors. theta energy: -143.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -1773.807547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.807547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.807547 (E_RNA)
where:
Base-Base interactions energy: -1267.565
where: short stacking energy: -525.116
Base-Backbone interact. energy: -3.006
local terms energy: -503.236745
where:
bonds (distance) C4'-P energy: -93.102
bonds (distance) P-C4' energy: -89.954
flat angles C4'-P-C4' energy: -106.327
flat angles P-C4'-P energy: -83.061
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: 4, replica: 2
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -1751.550681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.550681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.550681 (E_RNA)
where:
Base-Base interactions energy: -1228.192
where: short stacking energy: -517.997
Base-Backbone interact. energy: 0.855
local terms energy: -524.213905
where:
bonds (distance) C4'-P energy: -93.608
bonds (distance) P-C4' energy: -88.341
flat angles C4'-P-C4' energy: -121.823
flat angles P-C4'-P energy: -77.892
tors. eta vs tors. theta energy: -142.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -1672.899490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.899490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.899490 (E_RNA)
where:
Base-Base interactions energy: -1172.105
where: short stacking energy: -482.377
Base-Backbone interact. energy: 1.590
local terms energy: -502.384624
where:
bonds (distance) C4'-P energy: -86.897
bonds (distance) P-C4' energy: -102.101
flat angles C4'-P-C4' energy: -107.744
flat angles P-C4'-P energy: -73.448
tors. eta vs tors. theta energy: -132.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -1384.074810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1384.074810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1384.074810 (E_RNA)
where:
Base-Base interactions energy: -949.316
where: short stacking energy: -400.403
Base-Backbone interact. energy: 0.848
local terms energy: -435.606620
where:
bonds (distance) C4'-P energy: -88.491
bonds (distance) P-C4' energy: -90.310
flat angles C4'-P-C4' energy: -102.697
flat angles P-C4'-P energy: -63.538
tors. eta vs tors. theta energy: -90.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -1343.657459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.657459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.657459 (E_RNA)
where:
Base-Base interactions energy: -907.843
where: short stacking energy: -384.954
Base-Backbone interact. energy: -2.535
local terms energy: -433.279487
where:
bonds (distance) C4'-P energy: -85.505
bonds (distance) P-C4' energy: -81.997
flat angles C4'-P-C4' energy: -104.427
flat angles P-C4'-P energy: -68.649
tors. eta vs tors. theta energy: -92.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -1277.407001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.407001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.407001 (E_RNA)
where:
Base-Base interactions energy: -887.751
where: short stacking energy: -365.405
Base-Backbone interact. energy: 2.364
local terms energy: -392.020430
where:
bonds (distance) C4'-P energy: -80.639
bonds (distance) P-C4' energy: -87.388
flat angles C4'-P-C4' energy: -90.356
flat angles P-C4'-P energy: -47.023
tors. eta vs tors. theta energy: -86.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -1058.870216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.870216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.870216 (E_RNA)
where:
Base-Base interactions energy: -716.814
where: short stacking energy: -327.665
Base-Backbone interact. energy: -0.612
local terms energy: -341.444604
where:
bonds (distance) C4'-P energy: -77.771
bonds (distance) P-C4' energy: -70.320
flat angles C4'-P-C4' energy: -76.275
flat angles P-C4'-P energy: -58.692
tors. eta vs tors. theta energy: -58.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -744.096960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -744.096960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -744.096960 (E_RNA)
where:
Base-Base interactions energy: -444.155
where: short stacking energy: -231.251
Base-Backbone interact. energy: 3.572
local terms energy: -303.513435
where:
bonds (distance) C4'-P energy: -90.666
bonds (distance) P-C4' energy: -82.800
flat angles C4'-P-C4' energy: -74.183
flat angles P-C4'-P energy: -38.133
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -1930.930841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.930841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.930841 (E_RNA)
where:
Base-Base interactions energy: -1368.855
where: short stacking energy: -564.451
Base-Backbone interact. energy: -3.164
local terms energy: -558.912460
where:
bonds (distance) C4'-P energy: -110.284
bonds (distance) P-C4' energy: -103.492
flat angles C4'-P-C4' energy: -123.590
flat angles P-C4'-P energy: -73.550
tors. eta vs tors. theta energy: -147.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -1886.448170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.448170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.448170 (E_RNA)
where:
Base-Base interactions energy: -1326.908
where: short stacking energy: -553.698
Base-Backbone interact. energy: -1.999
local terms energy: -557.541281
where:
bonds (distance) C4'-P energy: -103.449
bonds (distance) P-C4' energy: -95.899
flat angles C4'-P-C4' energy: -122.078
flat angles P-C4'-P energy: -79.571
tors. eta vs tors. theta energy: -156.543
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: 8
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -1756.697015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.697015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.697015 (E_RNA)
where:
Base-Base interactions energy: -1233.067
where: short stacking energy: -506.282
Base-Backbone interact. energy: 1.449
local terms energy: -525.078612
where:
bonds (distance) C4'-P energy: -98.374
bonds (distance) P-C4' energy: -92.705
flat angles C4'-P-C4' energy: -114.879
flat angles P-C4'-P energy: -77.339
tors. eta vs tors. theta energy: -141.782
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: 2
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -1769.706261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.706261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.706261 (E_RNA)
where:
Base-Base interactions energy: -1266.518
where: short stacking energy: -496.770
Base-Backbone interact. energy: -3.516
local terms energy: -499.672367
where:
bonds (distance) C4'-P energy: -82.620
bonds (distance) P-C4' energy: -83.542
flat angles C4'-P-C4' energy: -116.614
flat angles P-C4'-P energy: -70.439
tors. eta vs tors. theta energy: -146.458
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: 5, replica: 3
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -1675.052465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.052465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.052465 (E_RNA)
where:
Base-Base interactions energy: -1177.419
where: short stacking energy: -461.051
Base-Backbone interact. energy: -5.521
local terms energy: -492.112582
where:
bonds (distance) C4'-P energy: -107.360
bonds (distance) P-C4' energy: -89.057
flat angles C4'-P-C4' energy: -103.842
flat angles P-C4'-P energy: -70.626
tors. eta vs tors. theta energy: -121.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -1453.867874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.867874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.867874 (E_RNA)
where:
Base-Base interactions energy: -1005.362
where: short stacking energy: -435.290
Base-Backbone interact. energy: 1.167
local terms energy: -449.672664
where:
bonds (distance) C4'-P energy: -67.138
bonds (distance) P-C4' energy: -85.363
flat angles C4'-P-C4' energy: -107.883
flat angles P-C4'-P energy: -80.826
tors. eta vs tors. theta energy: -108.462
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: 261
Temperature: 1.200000
Total energy: -1360.244234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1360.244234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1360.244234 (E_RNA)
where:
Base-Base interactions energy: -909.105
where: short stacking energy: -385.650
Base-Backbone interact. energy: -1.043
local terms energy: -450.095967
where:
bonds (distance) C4'-P energy: -102.754
bonds (distance) P-C4' energy: -88.502
flat angles C4'-P-C4' energy: -100.574
flat angles P-C4'-P energy: -64.188
tors. eta vs tors. theta energy: -94.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -1306.081308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.081308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.081308 (E_RNA)
where:
Base-Base interactions energy: -914.089
where: short stacking energy: -360.428
Base-Backbone interact. energy: -0.263
local terms energy: -391.729310
where:
bonds (distance) C4'-P energy: -67.725
bonds (distance) P-C4' energy: -90.793
flat angles C4'-P-C4' energy: -80.636
flat angles P-C4'-P energy: -65.710
tors. eta vs tors. theta energy: -86.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -1073.323194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.323194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.323194 (E_RNA)
where:
Base-Base interactions energy: -688.554
where: short stacking energy: -297.293
Base-Backbone interact. energy: 0.863
local terms energy: -385.632796
where:
bonds (distance) C4'-P energy: -82.209
bonds (distance) P-C4' energy: -91.495
flat angles C4'-P-C4' energy: -88.126
flat angles P-C4'-P energy: -67.392
tors. eta vs tors. theta energy: -56.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -741.101669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.101669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.101669 (E_RNA)
where:
Base-Base interactions energy: -437.599
where: short stacking energy: -222.937
Base-Backbone interact. energy: -0.692
local terms energy: -302.810855
where:
bonds (distance) C4'-P energy: -86.751
bonds (distance) P-C4' energy: -76.692
flat angles C4'-P-C4' energy: -77.152
flat angles P-C4'-P energy: -39.148
tors. eta vs tors. theta energy: -23.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -1950.560528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.560528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.560528 (E_RNA)
where:
Base-Base interactions energy: -1407.440
where: short stacking energy: -576.577
Base-Backbone interact. energy: -2.126
local terms energy: -540.994274
where:
bonds (distance) C4'-P energy: -96.365
bonds (distance) P-C4' energy: -95.675
flat angles C4'-P-C4' energy: -120.844
flat angles P-C4'-P energy: -71.692
tors. eta vs tors. theta energy: -156.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -1885.473605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.473605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.473605 (E_RNA)
where:
Base-Base interactions energy: -1346.874
where: short stacking energy: -534.285
Base-Backbone interact. energy: -2.162
local terms energy: -536.437437
where:
bonds (distance) C4'-P energy: -91.547
bonds (distance) P-C4' energy: -101.023
flat angles C4'-P-C4' energy: -110.944
flat angles P-C4'-P energy: -82.543
tors. eta vs tors. theta energy: -150.381
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: 8
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -1758.499386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.499386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.499386 (E_RNA)
where:
Base-Base interactions energy: -1244.278
where: short stacking energy: -482.607
Base-Backbone interact. energy: -2.753
local terms energy: -511.468061
where:
bonds (distance) C4'-P energy: -93.624
bonds (distance) P-C4' energy: -93.294
flat angles C4'-P-C4' energy: -115.593
flat angles P-C4'-P energy: -74.901
tors. eta vs tors. theta energy: -134.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -1757.345296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.345296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.345296 (E_RNA)
where:
Base-Base interactions energy: -1270.202
where: short stacking energy: -501.968
Base-Backbone interact. energy: -0.039
local terms energy: -487.104706
where:
bonds (distance) C4'-P energy: -81.126
bonds (distance) P-C4' energy: -90.637
flat angles C4'-P-C4' energy: -110.614
flat angles P-C4'-P energy: -64.355
tors. eta vs tors. theta energy: -140.373
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: 3
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -1653.759922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.759922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.759922 (E_RNA)
where:
Base-Base interactions energy: -1174.726
where: short stacking energy: -474.946
Base-Backbone interact. energy: -2.803
local terms energy: -476.231043
where:
bonds (distance) C4'-P energy: -87.852
bonds (distance) P-C4' energy: -98.252
flat angles C4'-P-C4' energy: -111.074
flat angles P-C4'-P energy: -60.193
tors. eta vs tors. theta energy: -118.860
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: 9
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -1477.475053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.475053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.475053 (E_RNA)
where:
Base-Base interactions energy: -1026.355
where: short stacking energy: -429.128
Base-Backbone interact. energy: 0.037
local terms energy: -451.156968
where:
bonds (distance) C4'-P energy: -79.794
bonds (distance) P-C4' energy: -92.808
flat angles C4'-P-C4' energy: -102.885
flat angles P-C4'-P energy: -61.494
tors. eta vs tors. theta energy: -114.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -1368.668794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.668794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.668794 (E_RNA)
where:
Base-Base interactions energy: -913.529
where: short stacking energy: -397.152
Base-Backbone interact. energy: -0.025
local terms energy: -455.114757
where:
bonds (distance) C4'-P energy: -94.421
bonds (distance) P-C4' energy: -101.351
flat angles C4'-P-C4' energy: -94.263
flat angles P-C4'-P energy: -56.497
tors. eta vs tors. theta energy: -108.583
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: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -1312.739087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.739087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.739087 (E_RNA)
where:
Base-Base interactions energy: -930.091
where: short stacking energy: -384.233
Base-Backbone interact. energy: 2.421
local terms energy: -385.068693
where:
bonds (distance) C4'-P energy: -67.198
bonds (distance) P-C4' energy: -77.005
flat angles C4'-P-C4' energy: -97.292
flat angles P-C4'-P energy: -52.405
tors. eta vs tors. theta energy: -91.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -1068.498359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.498359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.498359 (E_RNA)
where:
Base-Base interactions energy: -709.653
where: short stacking energy: -300.086
Base-Backbone interact. energy: -1.180
local terms energy: -357.665412
where:
bonds (distance) C4'-P energy: -70.052
bonds (distance) P-C4' energy: -84.278
flat angles C4'-P-C4' energy: -103.663
flat angles P-C4'-P energy: -51.427
tors. eta vs tors. theta energy: -48.246
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: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -807.401686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.401686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.401686 (E_RNA)
where:
Base-Base interactions energy: -486.900
where: short stacking energy: -220.510
Base-Backbone interact. energy: 2.286
local terms energy: -322.787754
where:
bonds (distance) C4'-P energy: -68.837
bonds (distance) P-C4' energy: -99.760
flat angles C4'-P-C4' energy: -74.296
flat angles P-C4'-P energy: -46.651
tors. eta vs tors. theta energy: -33.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -1931.725677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.725677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.725677 (E_RNA)
where:
Base-Base interactions energy: -1370.197
where: short stacking energy: -540.249
Base-Backbone interact. energy: -1.861
local terms energy: -559.667544
where:
bonds (distance) C4'-P energy: -100.319
bonds (distance) P-C4' energy: -103.813
flat angles C4'-P-C4' energy: -119.949
flat angles P-C4'-P energy: -79.285
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: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -1886.507292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.507292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.507292 (E_RNA)
where:
Base-Base interactions energy: -1328.010
where: short stacking energy: -552.554
Base-Backbone interact. energy: 3.096
local terms energy: -561.593697
where:
bonds (distance) C4'-P energy: -95.585
bonds (distance) P-C4' energy: -98.183
flat angles C4'-P-C4' energy: -124.293
flat angles P-C4'-P energy: -84.878
tors. eta vs tors. theta energy: -158.655
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: 8
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -1777.348980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.348980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.348980 (E_RNA)
where:
Base-Base interactions energy: -1264.203
where: short stacking energy: -520.224
Base-Backbone interact. energy: -0.182
local terms energy: -512.963264
where:
bonds (distance) C4'-P energy: -104.137
bonds (distance) P-C4' energy: -98.766
flat angles C4'-P-C4' energy: -98.303
flat angles P-C4'-P energy: -77.018
tors. eta vs tors. theta energy: -134.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -1749.647655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.647655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.647655 (E_RNA)
where:
Base-Base interactions energy: -1233.006
where: short stacking energy: -496.060
Base-Backbone interact. energy: -3.897
local terms energy: -512.745325
where:
bonds (distance) C4'-P energy: -95.170
bonds (distance) P-C4' energy: -101.720
flat angles C4'-P-C4' energy: -105.864
flat angles P-C4'-P energy: -73.597
tors. eta vs tors. theta energy: -136.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -1647.201826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.201826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.201826 (E_RNA)
where:
Base-Base interactions energy: -1153.190
where: short stacking energy: -472.196
Base-Backbone interact. energy: -2.268
local terms energy: -491.744815
where:
bonds (distance) C4'-P energy: -91.788
bonds (distance) P-C4' energy: -98.461
flat angles C4'-P-C4' energy: -100.291
flat angles P-C4'-P energy: -78.518
tors. eta vs tors. theta energy: -122.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -1506.184117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.184117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.184117 (E_RNA)
where:
Base-Base interactions energy: -1042.673
where: short stacking energy: -457.481
Base-Backbone interact. energy: 2.476
local terms energy: -465.987548
where:
bonds (distance) C4'-P energy: -76.169
bonds (distance) P-C4' energy: -91.738
flat angles C4'-P-C4' energy: -104.803
flat angles P-C4'-P energy: -73.257
tors. eta vs tors. theta energy: -120.021
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: 7, replica: 5
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -1379.715134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.715134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.715134 (E_RNA)
where:
Base-Base interactions energy: -957.390
where: short stacking energy: -404.183
Base-Backbone interact. energy: 2.903
local terms energy: -425.228232
where:
bonds (distance) C4'-P energy: -73.099
bonds (distance) P-C4' energy: -75.750
flat angles C4'-P-C4' energy: -104.265
flat angles P-C4'-P energy: -69.706
tors. eta vs tors. theta energy: -102.408
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: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -1361.130799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.130799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.130799 (E_RNA)
where:
Base-Base interactions energy: -944.497
where: short stacking energy: -407.300
Base-Backbone interact. energy: -2.552
local terms energy: -414.082350
where:
bonds (distance) C4'-P energy: -66.041
bonds (distance) P-C4' energy: -92.435
flat angles C4'-P-C4' energy: -87.851
flat angles P-C4'-P energy: -68.480
tors. eta vs tors. theta energy: -99.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -1073.848296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.848296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.848296 (E_RNA)
where:
Base-Base interactions energy: -686.785
where: short stacking energy: -294.754
Base-Backbone interact. energy: -3.337
local terms energy: -383.726543
where:
bonds (distance) C4'-P energy: -84.246
bonds (distance) P-C4' energy: -99.130
flat angles C4'-P-C4' energy: -87.678
flat angles P-C4'-P energy: -56.131
tors. eta vs tors. theta energy: -56.541
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: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -814.308516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.308516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.308516 (E_RNA)
where:
Base-Base interactions energy: -479.163
where: short stacking energy: -233.560
Base-Backbone interact. energy: 1.100
local terms energy: -336.245273
where:
bonds (distance) C4'-P energy: -77.351
bonds (distance) P-C4' energy: -91.145
flat angles C4'-P-C4' energy: -81.874
flat angles P-C4'-P energy: -48.333
tors. eta vs tors. theta energy: -37.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -1898.756189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.756189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.756189 (E_RNA)
where:
Base-Base interactions energy: -1362.770
where: short stacking energy: -550.348
Base-Backbone interact. energy: -0.295
local terms energy: -535.691357
where:
bonds (distance) C4'-P energy: -94.297
bonds (distance) P-C4' energy: -93.902
flat angles C4'-P-C4' energy: -118.605
flat angles P-C4'-P energy: -82.933
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: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -1891.604203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.604203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.604203 (E_RNA)
where:
Base-Base interactions energy: -1336.365
where: short stacking energy: -532.858
Base-Backbone interact. energy: -2.968
local terms energy: -552.271578
where:
bonds (distance) C4'-P energy: -98.308
bonds (distance) P-C4' energy: -101.470
flat angles C4'-P-C4' energy: -113.554
flat angles P-C4'-P energy: -85.951
tors. eta vs tors. theta energy: -152.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -1792.041745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.041745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.041745 (E_RNA)
where:
Base-Base interactions energy: -1278.785
where: short stacking energy: -532.642
Base-Backbone interact. energy: -2.731
local terms energy: -510.525291
where:
bonds (distance) C4'-P energy: -85.008
bonds (distance) P-C4' energy: -92.923
flat angles C4'-P-C4' energy: -118.875
flat angles P-C4'-P energy: -75.025
tors. eta vs tors. theta energy: -138.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -1796.028960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.028960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.028960 (E_RNA)
where:
Base-Base interactions energy: -1271.527
where: short stacking energy: -491.391
Base-Backbone interact. energy: 6.124
local terms energy: -530.625556
where:
bonds (distance) C4'-P energy: -100.148
bonds (distance) P-C4' energy: -114.844
flat angles C4'-P-C4' energy: -111.081
flat angles P-C4'-P energy: -68.622
tors. eta vs tors. theta energy: -135.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -1642.624499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.624499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.624499 (E_RNA)
where:
Base-Base interactions energy: -1162.406
where: short stacking energy: -459.755
Base-Backbone interact. energy: -1.855
local terms energy: -478.363281
where:
bonds (distance) C4'-P energy: -89.876
bonds (distance) P-C4' energy: -93.892
flat angles C4'-P-C4' energy: -113.498
flat angles P-C4'-P energy: -61.019
tors. eta vs tors. theta energy: -120.079
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: 9
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -1454.288518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.288518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.288518 (E_RNA)
where:
Base-Base interactions energy: -1017.675
where: short stacking energy: -451.328
Base-Backbone interact. energy: 0.035
local terms energy: -436.649331
where:
bonds (distance) C4'-P energy: -78.087
bonds (distance) P-C4' energy: -77.377
flat angles C4'-P-C4' energy: -97.654
flat angles P-C4'-P energy: -68.155
tors. eta vs tors. theta energy: -115.376
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: 5
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -1349.771183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.771183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.771183 (E_RNA)
where:
Base-Base interactions energy: -932.540
where: short stacking energy: -367.464
Base-Backbone interact. energy: 1.729
local terms energy: -418.961014
where:
bonds (distance) C4'-P energy: -82.520
bonds (distance) P-C4' energy: -87.797
flat angles C4'-P-C4' energy: -98.048
flat angles P-C4'-P energy: -64.415
tors. eta vs tors. theta energy: -86.179
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: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -1320.699530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.699530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.699530 (E_RNA)
where:
Base-Base interactions energy: -905.125
where: short stacking energy: -373.724
Base-Backbone interact. energy: -0.117
local terms energy: -415.457255
where:
bonds (distance) C4'-P energy: -76.161
bonds (distance) P-C4' energy: -106.879
flat angles C4'-P-C4' energy: -91.182
flat angles P-C4'-P energy: -59.148
tors. eta vs tors. theta energy: -82.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -1049.801558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.801558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.801558 (E_RNA)
where:
Base-Base interactions energy: -690.587
where: short stacking energy: -297.881
Base-Backbone interact. energy: 0.022
local terms energy: -359.236750
where:
bonds (distance) C4'-P energy: -62.440
bonds (distance) P-C4' energy: -93.416
flat angles C4'-P-C4' energy: -85.669
flat angles P-C4'-P energy: -66.352
tors. eta vs tors. theta energy: -51.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -798.820000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.820000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.820000 (E_RNA)
where:
Base-Base interactions energy: -491.536
where: short stacking energy: -237.039
Base-Backbone interact. energy: -2.182
local terms energy: -305.102590
where:
bonds (distance) C4'-P energy: -79.524
bonds (distance) P-C4' energy: -84.150
flat angles C4'-P-C4' energy: -65.278
flat angles P-C4'-P energy: -42.215
tors. eta vs tors. theta energy: -33.935
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: 4
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -1934.186443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.186443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.186443 (E_RNA)
where:
Base-Base interactions energy: -1375.480
where: short stacking energy: -569.543
Base-Backbone interact. energy: 2.275
local terms energy: -560.981374
where:
bonds (distance) C4'-P energy: -99.719
bonds (distance) P-C4' energy: -103.853
flat angles C4'-P-C4' energy: -112.644
flat angles P-C4'-P energy: -87.401
tors. eta vs tors. theta energy: -157.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -1886.296363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.296363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.296363 (E_RNA)
where:
Base-Base interactions energy: -1327.360
where: short stacking energy: -535.301
Base-Backbone interact. energy: 1.068
local terms energy: -560.005173
where:
bonds (distance) C4'-P energy: -107.699
bonds (distance) P-C4' energy: -105.352
flat angles C4'-P-C4' energy: -118.502
flat angles P-C4'-P energy: -83.597
tors. eta vs tors. theta energy: -144.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -1791.544627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.544627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.544627 (E_RNA)
where:
Base-Base interactions energy: -1282.399
where: short stacking energy: -493.469
Base-Backbone interact. energy: -2.025
local terms energy: -507.120717
where:
bonds (distance) C4'-P energy: -98.526
bonds (distance) P-C4' energy: -99.826
flat angles C4'-P-C4' energy: -107.409
flat angles P-C4'-P energy: -72.713
tors. eta vs tors. theta energy: -128.646
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: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -1781.961596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.961596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.961596 (E_RNA)
where:
Base-Base interactions energy: -1257.220
where: short stacking energy: -517.867
Base-Backbone interact. energy: -2.920
local terms energy: -521.821661
where:
bonds (distance) C4'-P energy: -95.543
bonds (distance) P-C4' energy: -99.243
flat angles C4'-P-C4' energy: -120.013
flat angles P-C4'-P energy: -63.206
tors. eta vs tors. theta energy: -143.815
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: 3
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -1666.054509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.054509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.054509 (E_RNA)
where:
Base-Base interactions energy: -1188.925
where: short stacking energy: -467.588
Base-Backbone interact. energy: 2.703
local terms energy: -479.832570
where:
bonds (distance) C4'-P energy: -82.071
bonds (distance) P-C4' energy: -96.942
flat angles C4'-P-C4' energy: -104.626
flat angles P-C4'-P energy: -66.427
tors. eta vs tors. theta energy: -129.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -1451.707179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1451.707179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1451.707179 (E_RNA)
where:
Base-Base interactions energy: -971.282
where: short stacking energy: -437.213
Base-Backbone interact. energy: 0.016
local terms energy: -480.440513
where:
bonds (distance) C4'-P energy: -91.850
bonds (distance) P-C4' energy: -96.185
flat angles C4'-P-C4' energy: -101.862
flat angles P-C4'-P energy: -66.400
tors. eta vs tors. theta energy: -124.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -1403.892587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.892587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.892587 (E_RNA)
where:
Base-Base interactions energy: -984.057
where: short stacking energy: -421.106
Base-Backbone interact. energy: 0.170
local terms energy: -420.006288
where:
bonds (distance) C4'-P energy: -83.225
bonds (distance) P-C4' energy: -86.898
flat angles C4'-P-C4' energy: -96.236
flat angles P-C4'-P energy: -54.010
tors. eta vs tors. theta energy: -99.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -1340.449134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.449134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.449134 (E_RNA)
where:
Base-Base interactions energy: -943.965
where: short stacking energy: -380.269
Base-Backbone interact. energy: -2.854
local terms energy: -393.629981
where:
bonds (distance) C4'-P energy: -74.806
bonds (distance) P-C4' energy: -92.460
flat angles C4'-P-C4' energy: -93.167
flat angles P-C4'-P energy: -54.782
tors. eta vs tors. theta energy: -78.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -1106.553111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.553111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.553111 (E_RNA)
where:
Base-Base interactions energy: -726.513
where: short stacking energy: -329.354
Base-Backbone interact. energy: 0.609
local terms energy: -380.649164
where:
bonds (distance) C4'-P energy: -68.772
bonds (distance) P-C4' energy: -98.159
flat angles C4'-P-C4' energy: -93.565
flat angles P-C4'-P energy: -46.823
tors. eta vs tors. theta energy: -73.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -736.378877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -736.378877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -736.378877 (E_RNA)
where:
Base-Base interactions energy: -437.206
where: short stacking energy: -195.093
Base-Backbone interact. energy: -1.159
local terms energy: -298.014198
where:
bonds (distance) C4'-P energy: -85.879
bonds (distance) P-C4' energy: -76.286
flat angles C4'-P-C4' energy: -75.795
flat angles P-C4'-P energy: -51.504
tors. eta vs tors. theta energy: -8.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -1929.055659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.055659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.055659 (E_RNA)
where:
Base-Base interactions energy: -1373.442
where: short stacking energy: -564.744
Base-Backbone interact. energy: -2.175
local terms energy: -553.439304
where:
bonds (distance) C4'-P energy: -100.436
bonds (distance) P-C4' energy: -107.962
flat angles C4'-P-C4' energy: -105.520
flat angles P-C4'-P energy: -85.756
tors. eta vs tors. theta energy: -153.765
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: 4
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -1873.023645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.023645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.023645 (E_RNA)
where:
Base-Base interactions energy: -1315.624
where: short stacking energy: -561.248
Base-Backbone interact. energy: -3.064
local terms energy: -554.335516
where:
bonds (distance) C4'-P energy: -91.129
bonds (distance) P-C4' energy: -105.126
flat angles C4'-P-C4' energy: -127.799
flat angles P-C4'-P energy: -78.220
tors. eta vs tors. theta energy: -152.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -1794.807632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.807632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.807632 (E_RNA)
where:
Base-Base interactions energy: -1288.631
where: short stacking energy: -529.977
Base-Backbone interact. energy: -0.864
local terms energy: -505.311813
where:
bonds (distance) C4'-P energy: -90.613
bonds (distance) P-C4' energy: -90.511
flat angles C4'-P-C4' energy: -116.743
flat angles P-C4'-P energy: -73.358
tors. eta vs tors. theta energy: -134.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -1750.719186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.719186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.719186 (E_RNA)
where:
Base-Base interactions energy: -1226.122
where: short stacking energy: -506.735
Base-Backbone interact. energy: 0.090
local terms energy: -524.686313
where:
bonds (distance) C4'-P energy: -103.384
bonds (distance) P-C4' energy: -107.594
flat angles C4'-P-C4' energy: -105.762
flat angles P-C4'-P energy: -73.611
tors. eta vs tors. theta energy: -134.336
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: 266
Temperature: 1.100000
Total energy: -1632.302018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.302018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.302018 (E_RNA)
where:
Base-Base interactions energy: -1154.914
where: short stacking energy: -449.897
Base-Backbone interact. energy: -2.296
local terms energy: -475.092143
where:
bonds (distance) C4'-P energy: -76.761
bonds (distance) P-C4' energy: -98.200
flat angles C4'-P-C4' energy: -107.592
flat angles P-C4'-P energy: -77.061
tors. eta vs tors. theta energy: -115.478
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: 9
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -1422.065740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.065740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.065740 (E_RNA)
where:
Base-Base interactions energy: -976.100
where: short stacking energy: -415.832
Base-Backbone interact. energy: -0.672
local terms energy: -445.294405
where:
bonds (distance) C4'-P energy: -82.955
bonds (distance) P-C4' energy: -79.004
flat angles C4'-P-C4' energy: -106.700
flat angles P-C4'-P energy: -69.117
tors. eta vs tors. theta energy: -107.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -1406.418874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.418874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.418874 (E_RNA)
where:
Base-Base interactions energy: -974.075
where: short stacking energy: -420.670
Base-Backbone interact. energy: 0.578
local terms energy: -432.922439
where:
bonds (distance) C4'-P energy: -74.199
bonds (distance) P-C4' energy: -92.145
flat angles C4'-P-C4' energy: -100.398
flat angles P-C4'-P energy: -74.645
tors. eta vs tors. theta energy: -91.535
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: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -1322.403262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.403262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.403262 (E_RNA)
where:
Base-Base interactions energy: -903.121
where: short stacking energy: -382.370
Base-Backbone interact. energy: -1.417
local terms energy: -417.864586
where:
bonds (distance) C4'-P energy: -100.204
bonds (distance) P-C4' energy: -76.626
flat angles C4'-P-C4' energy: -80.398
flat angles P-C4'-P energy: -74.751
tors. eta vs tors. theta energy: -85.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -1094.862528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.862528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.862528 (E_RNA)
where:
Base-Base interactions energy: -742.122
where: short stacking energy: -320.778
Base-Backbone interact. energy: -1.668
local terms energy: -351.073459
where:
bonds (distance) C4'-P energy: -72.942
bonds (distance) P-C4' energy: -100.570
flat angles C4'-P-C4' energy: -74.263
flat angles P-C4'-P energy: -48.869
tors. eta vs tors. theta energy: -54.429
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: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -774.187168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -774.187168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -774.187168 (E_RNA)
where:
Base-Base interactions energy: -463.552
where: short stacking energy: -224.857
Base-Backbone interact. energy: -0.631
local terms energy: -310.004703
where:
bonds (distance) C4'-P energy: -81.725
bonds (distance) P-C4' energy: -89.091
flat angles C4'-P-C4' energy: -79.127
flat angles P-C4'-P energy: -41.735
tors. eta vs tors. theta energy: -18.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -1921.163183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.163183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.163183 (E_RNA)
where:
Base-Base interactions energy: -1344.618
where: short stacking energy: -547.088
Base-Backbone interact. energy: -1.314
local terms energy: -575.230762
where:
bonds (distance) C4'-P energy: -110.242
bonds (distance) P-C4' energy: -117.344
flat angles C4'-P-C4' energy: -114.534
flat angles P-C4'-P energy: -83.754
tors. eta vs tors. theta energy: -149.357
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: 4
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -1921.633242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1921.633242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1921.633242 (E_RNA)
where:
Base-Base interactions energy: -1347.410
where: short stacking energy: -554.161
Base-Backbone interact. energy: -4.071
local terms energy: -570.152454
where:
bonds (distance) C4'-P energy: -100.317
bonds (distance) P-C4' energy: -94.761
flat angles C4'-P-C4' energy: -131.674
flat angles P-C4'-P energy: -78.246
tors. eta vs tors. theta energy: -165.155
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: 2
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -1826.900035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.900035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.900035 (E_RNA)
where:
Base-Base interactions energy: -1306.612
where: short stacking energy: -528.754
Base-Backbone interact. energy: 1.026
local terms energy: -521.313767
where:
bonds (distance) C4'-P energy: -94.899
bonds (distance) P-C4' energy: -91.616
flat angles C4'-P-C4' energy: -113.385
flat angles P-C4'-P energy: -82.245
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: 4, replica: 8
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -1718.881663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.881663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.881663 (E_RNA)
where:
Base-Base interactions energy: -1212.313
where: short stacking energy: -497.766
Base-Backbone interact. energy: -1.502
local terms energy: -505.066525
where:
bonds (distance) C4'-P energy: -92.942
bonds (distance) P-C4' energy: -103.425
flat angles C4'-P-C4' energy: -113.730
flat angles P-C4'-P energy: -62.012
tors. eta vs tors. theta energy: -132.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -1662.665596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.665596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.665596 (E_RNA)
where:
Base-Base interactions energy: -1176.660
where: short stacking energy: -483.798
Base-Backbone interact. energy: 4.219
local terms energy: -490.224910
where:
bonds (distance) C4'-P energy: -83.950
bonds (distance) P-C4' energy: -105.320
flat angles C4'-P-C4' energy: -114.488
flat angles P-C4'-P energy: -56.305
tors. eta vs tors. theta energy: -130.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -1456.208431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.208431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.208431 (E_RNA)
where:
Base-Base interactions energy: -1003.499
where: short stacking energy: -408.622
Base-Backbone interact. energy: 3.700
local terms energy: -456.409238
where:
bonds (distance) C4'-P energy: -86.266
bonds (distance) P-C4' energy: -89.990
flat angles C4'-P-C4' energy: -106.829
flat angles P-C4'-P energy: -69.396
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: 7, replica: 9
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -1370.535106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.535106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.535106 (E_RNA)
where:
Base-Base interactions energy: -945.316
where: short stacking energy: -404.879
Base-Backbone interact. energy: -1.834
local terms energy: -423.384626
where:
bonds (distance) C4'-P energy: -82.677
bonds (distance) P-C4' energy: -84.656
flat angles C4'-P-C4' energy: -96.633
flat angles P-C4'-P energy: -62.710
tors. eta vs tors. theta energy: -96.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -1303.813086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.813086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.813086 (E_RNA)
where:
Base-Base interactions energy: -913.692
where: short stacking energy: -390.160
Base-Backbone interact. energy: -2.766
local terms energy: -387.355142
where:
bonds (distance) C4'-P energy: -77.935
bonds (distance) P-C4' energy: -80.945
flat angles C4'-P-C4' energy: -92.294
flat angles P-C4'-P energy: -51.524
tors. eta vs tors. theta energy: -84.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -1092.995506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.995506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.995506 (E_RNA)
where:
Base-Base interactions energy: -714.865
where: short stacking energy: -311.899
Base-Backbone interact. energy: -2.107
local terms energy: -376.022825
where:
bonds (distance) C4'-P energy: -84.097
bonds (distance) P-C4' energy: -95.258
flat angles C4'-P-C4' energy: -76.732
flat angles P-C4'-P energy: -56.950
tors. eta vs tors. theta energy: -62.985
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: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -782.735037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.735037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.735037 (E_RNA)
where:
Base-Base interactions energy: -475.819
where: short stacking energy: -209.140
Base-Backbone interact. energy: 5.918
local terms energy: -312.834777
where:
bonds (distance) C4'-P energy: -78.367
bonds (distance) P-C4' energy: -88.212
flat angles C4'-P-C4' energy: -76.173
flat angles P-C4'-P energy: -38.619
tors. eta vs tors. theta energy: -31.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -1931.040906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.040906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.040906 (E_RNA)
where:
Base-Base interactions energy: -1386.091
where: short stacking energy: -562.389
Base-Backbone interact. energy: -0.976
local terms energy: -543.973672
where:
bonds (distance) C4'-P energy: -107.175
bonds (distance) P-C4' energy: -94.722
flat angles C4'-P-C4' energy: -104.672
flat angles P-C4'-P energy: -88.302
tors. eta vs tors. theta energy: -149.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -1878.807341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.807341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.807341 (E_RNA)
where:
Base-Base interactions energy: -1323.723
where: short stacking energy: -558.971
Base-Backbone interact. energy: -1.338
local terms energy: -553.746446
where:
bonds (distance) C4'-P energy: -100.278
bonds (distance) P-C4' energy: -96.997
flat angles C4'-P-C4' energy: -119.051
flat angles P-C4'-P energy: -88.694
tors. eta vs tors. theta energy: -148.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -1831.157686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.157686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.157686 (E_RNA)
where:
Base-Base interactions energy: -1319.559
where: short stacking energy: -515.431
Base-Backbone interact. energy: -1.873
local terms energy: -509.725114
where:
bonds (distance) C4'-P energy: -96.997
bonds (distance) P-C4' energy: -102.947
flat angles C4'-P-C4' energy: -107.693
flat angles P-C4'-P energy: -64.329
tors. eta vs tors. theta energy: -137.758
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: 4, replica: 8
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -1732.875682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.875682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.875682 (E_RNA)
where:
Base-Base interactions energy: -1224.117
where: short stacking energy: -517.295
Base-Backbone interact. energy: -2.648
local terms energy: -506.110960
where:
bonds (distance) C4'-P energy: -90.010
bonds (distance) P-C4' energy: -92.936
flat angles C4'-P-C4' energy: -113.845
flat angles P-C4'-P energy: -71.210
tors. eta vs tors. theta energy: -138.110
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: 5, replica: 3
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -1681.915264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.915264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.915264 (E_RNA)
where:
Base-Base interactions energy: -1190.501
where: short stacking energy: -486.791
Base-Backbone interact. energy: 5.214
local terms energy: -496.628397
where:
bonds (distance) C4'-P energy: -69.768
bonds (distance) P-C4' energy: -89.089
flat angles C4'-P-C4' energy: -111.985
flat angles P-C4'-P energy: -83.169
tors. eta vs tors. theta energy: -142.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -1447.055226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.055226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.055226 (E_RNA)
where:
Base-Base interactions energy: -1002.389
where: short stacking energy: -437.403
Base-Backbone interact. energy: -1.541
local terms energy: -443.125101
where:
bonds (distance) C4'-P energy: -88.327
bonds (distance) P-C4' energy: -81.628
flat angles C4'-P-C4' energy: -91.497
flat angles P-C4'-P energy: -63.959
tors. eta vs tors. theta energy: -117.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -1370.435952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.435952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.435952 (E_RNA)
where:
Base-Base interactions energy: -953.070
where: short stacking energy: -389.552
Base-Backbone interact. energy: -2.081
local terms energy: -415.285018
where:
bonds (distance) C4'-P energy: -85.276
bonds (distance) P-C4' energy: -97.572
flat angles C4'-P-C4' energy: -89.833
flat angles P-C4'-P energy: -59.646
tors. eta vs tors. theta energy: -82.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -1331.753852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.753852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.753852 (E_RNA)
where:
Base-Base interactions energy: -925.296
where: short stacking energy: -386.538
Base-Backbone interact. energy: -0.894
local terms energy: -405.564088
where:
bonds (distance) C4'-P energy: -77.994
bonds (distance) P-C4' energy: -81.205
flat angles C4'-P-C4' energy: -94.154
flat angles P-C4'-P energy: -59.924
tors. eta vs tors. theta energy: -92.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -1092.806689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1092.806689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1092.806689 (E_RNA)
where:
Base-Base interactions energy: -708.463
where: short stacking energy: -311.528
Base-Backbone interact. energy: -1.114
local terms energy: -383.229897
where:
bonds (distance) C4'-P energy: -71.770
bonds (distance) P-C4' energy: -85.003
flat angles C4'-P-C4' energy: -93.085
flat angles P-C4'-P energy: -68.266
tors. eta vs tors. theta energy: -65.106
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: 10
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -725.096026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -725.096026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -725.096026 (E_RNA)
where:
Base-Base interactions energy: -442.725
where: short stacking energy: -220.727
Base-Backbone interact. energy: -2.232
local terms energy: -280.138762
where:
bonds (distance) C4'-P energy: -81.435
bonds (distance) P-C4' energy: -86.091
flat angles C4'-P-C4' energy: -74.328
flat angles P-C4'-P energy: -37.759
tors. eta vs tors. theta energy: -0.526
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: 1
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -1920.323566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.323566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.323566 (E_RNA)
where:
Base-Base interactions energy: -1353.155
where: short stacking energy: -561.314
Base-Backbone interact. energy: -2.558
local terms energy: -564.610551
where:
bonds (distance) C4'-P energy: -103.470
bonds (distance) P-C4' energy: -109.732
flat angles C4'-P-C4' energy: -111.657
flat angles P-C4'-P energy: -83.112
tors. eta vs tors. theta energy: -156.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -1864.846601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.846601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.846601 (E_RNA)
where:
Base-Base interactions energy: -1323.116
where: short stacking energy: -530.232
Base-Backbone interact. energy: 2.501
local terms energy: -544.231540
where:
bonds (distance) C4'-P energy: -112.198
bonds (distance) P-C4' energy: -92.651
flat angles C4'-P-C4' energy: -119.186
flat angles P-C4'-P energy: -76.154
tors. eta vs tors. theta energy: -144.042
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: 3, replica: 2
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -1812.441730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.441730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.441730 (E_RNA)
where:
Base-Base interactions energy: -1285.648
where: short stacking energy: -517.986
Base-Backbone interact. energy: -0.726
local terms energy: -526.067364
where:
bonds (distance) C4'-P energy: -106.490
bonds (distance) P-C4' energy: -82.281
flat angles C4'-P-C4' energy: -115.530
flat angles P-C4'-P energy: -83.148
tors. eta vs tors. theta energy: -138.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -1790.285440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.285440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.285440 (E_RNA)
where:
Base-Base interactions energy: -1295.397
where: short stacking energy: -524.470
Base-Backbone interact. energy: 3.168
local terms energy: -498.056662
where:
bonds (distance) C4'-P energy: -103.085
bonds (distance) P-C4' energy: -82.978
flat angles C4'-P-C4' energy: -107.653
flat angles P-C4'-P energy: -68.048
tors. eta vs tors. theta energy: -136.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -1655.284935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.284935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.284935 (E_RNA)
where:
Base-Base interactions energy: -1152.256
where: short stacking energy: -482.839
Base-Backbone interact. energy: -0.642
local terms energy: -502.387107
where:
bonds (distance) C4'-P energy: -95.670
bonds (distance) P-C4' energy: -94.981
flat angles C4'-P-C4' energy: -113.553
flat angles P-C4'-P energy: -59.699
tors. eta vs tors. theta energy: -138.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -1473.694634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.694634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.694634 (E_RNA)
where:
Base-Base interactions energy: -1042.599
where: short stacking energy: -457.052
Base-Backbone interact. energy: -1.974
local terms energy: -429.121817
where:
bonds (distance) C4'-P energy: -81.142
bonds (distance) P-C4' energy: -76.565
flat angles C4'-P-C4' energy: -88.642
flat angles P-C4'-P energy: -71.182
tors. eta vs tors. theta energy: -111.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -1351.992417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.992417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.992417 (E_RNA)
where:
Base-Base interactions energy: -909.597
where: short stacking energy: -417.276
Base-Backbone interact. energy: -2.215
local terms energy: -440.180872
where:
bonds (distance) C4'-P energy: -75.434
bonds (distance) P-C4' energy: -105.156
flat angles C4'-P-C4' energy: -101.562
flat angles P-C4'-P energy: -49.807
tors. eta vs tors. theta energy: -108.222
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: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -1353.166262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.166262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.166262 (E_RNA)
where:
Base-Base interactions energy: -942.064
where: short stacking energy: -371.355
Base-Backbone interact. energy: -0.748
local terms energy: -410.353577
where:
bonds (distance) C4'-P energy: -97.809
bonds (distance) P-C4' energy: -78.318
flat angles C4'-P-C4' energy: -89.819
flat angles P-C4'-P energy: -51.860
tors. eta vs tors. theta energy: -92.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -1087.667209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1087.667209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1087.667209 (E_RNA)
where:
Base-Base interactions energy: -730.449
where: short stacking energy: -322.886
Base-Backbone interact. energy: 5.318
local terms energy: -362.535963
where:
bonds (distance) C4'-P energy: -86.494
bonds (distance) P-C4' energy: -86.374
flat angles C4'-P-C4' energy: -92.058
flat angles P-C4'-P energy: -50.571
tors. eta vs tors. theta energy: -47.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -795.524490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.524490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.524490 (E_RNA)
where:
Base-Base interactions energy: -451.381
where: short stacking energy: -218.827
Base-Backbone interact. energy: 0.654
local terms energy: -344.798070
where:
bonds (distance) C4'-P energy: -92.484
bonds (distance) P-C4' energy: -87.682
flat angles C4'-P-C4' energy: -87.185
flat angles P-C4'-P energy: -49.574
tors. eta vs tors. theta energy: -27.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -1933.069850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.069850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.069850 (E_RNA)
where:
Base-Base interactions energy: -1387.894
where: short stacking energy: -564.996
Base-Backbone interact. energy: 0.837
local terms energy: -546.013068
where:
bonds (distance) C4'-P energy: -88.483
bonds (distance) P-C4' energy: -98.881
flat angles C4'-P-C4' energy: -119.169
flat angles P-C4'-P energy: -85.586
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: 2, replica: 4
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -1868.194489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.194489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.194489 (E_RNA)
where:
Base-Base interactions energy: -1310.937
where: short stacking energy: -548.553
Base-Backbone interact. energy: -0.660
local terms energy: -556.596582
where:
bonds (distance) C4'-P energy: -93.142
bonds (distance) P-C4' energy: -107.188
flat angles C4'-P-C4' energy: -123.643
flat angles P-C4'-P energy: -78.728
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: 3, replica: 8
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -1760.314573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.314573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.314573 (E_RNA)
where:
Base-Base interactions energy: -1230.916
where: short stacking energy: -513.537
Base-Backbone interact. energy: -1.424
local terms energy: -527.975089
where:
bonds (distance) C4'-P energy: -108.964
bonds (distance) P-C4' energy: -94.705
flat angles C4'-P-C4' energy: -111.871
flat angles P-C4'-P energy: -65.806
tors. eta vs tors. theta energy: -146.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -1784.002765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.002765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.002765 (E_RNA)
where:
Base-Base interactions energy: -1285.306
where: short stacking energy: -487.767
Base-Backbone interact. energy: 2.357
local terms energy: -501.054222
where:
bonds (distance) C4'-P energy: -97.177
bonds (distance) P-C4' energy: -97.284
flat angles C4'-P-C4' energy: -102.465
flat angles P-C4'-P energy: -63.616
tors. eta vs tors. theta energy: -140.512
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: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -1647.784757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.784757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.784757 (E_RNA)
where:
Base-Base interactions energy: -1170.699
where: short stacking energy: -487.895
Base-Backbone interact. energy: -0.333
local terms energy: -476.752265
where:
bonds (distance) C4'-P energy: -96.163
bonds (distance) P-C4' energy: -79.297
flat angles C4'-P-C4' energy: -109.743
flat angles P-C4'-P energy: -70.716
tors. eta vs tors. theta energy: -120.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -1448.021685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.021685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.021685 (E_RNA)
where:
Base-Base interactions energy: -1004.496
where: short stacking energy: -421.944
Base-Backbone interact. energy: 2.329
local terms energy: -445.854864
where:
bonds (distance) C4'-P energy: -100.176
bonds (distance) P-C4' energy: -91.879
flat angles C4'-P-C4' energy: -93.198
flat angles P-C4'-P energy: -57.525
tors. eta vs tors. theta energy: -103.077
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: 7, replica: 9
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -1328.333685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.333685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.333685 (E_RNA)
where:
Base-Base interactions energy: -906.517
where: short stacking energy: -384.543
Base-Backbone interact. energy: -1.480
local terms energy: -420.337330
where:
bonds (distance) C4'-P energy: -75.228
bonds (distance) P-C4' energy: -78.795
flat angles C4'-P-C4' energy: -109.879
flat angles P-C4'-P energy: -64.310
tors. eta vs tors. theta energy: -92.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -1324.396910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.396910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.396910 (E_RNA)
where:
Base-Base interactions energy: -911.813
where: short stacking energy: -412.688
Base-Backbone interact. energy: -2.129
local terms energy: -410.455397
where:
bonds (distance) C4'-P energy: -69.608
bonds (distance) P-C4' energy: -84.443
flat angles C4'-P-C4' energy: -94.421
flat angles P-C4'-P energy: -67.853
tors. eta vs tors. theta energy: -94.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -1137.645489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.645489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.645489 (E_RNA)
where:
Base-Base interactions energy: -769.654
where: short stacking energy: -322.312
Base-Backbone interact. energy: -2.310
local terms energy: -365.681783
where:
bonds (distance) C4'-P energy: -66.024
bonds (distance) P-C4' energy: -80.874
flat angles C4'-P-C4' energy: -91.315
flat angles P-C4'-P energy: -65.533
tors. eta vs tors. theta energy: -61.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -849.226047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.226047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.226047 (E_RNA)
where:
Base-Base interactions energy: -497.834
where: short stacking energy: -231.931
Base-Backbone interact. energy: 0.576
local terms energy: -351.967467
where:
bonds (distance) C4'-P energy: -91.348
bonds (distance) P-C4' energy: -86.818
flat angles C4'-P-C4' energy: -90.620
flat angles P-C4'-P energy: -43.722
tors. eta vs tors. theta energy: -39.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -1917.294376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.294376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.294376 (E_RNA)
where:
Base-Base interactions energy: -1369.988
where: short stacking energy: -555.879
Base-Backbone interact. energy: 3.981
local terms energy: -551.287326
where:
bonds (distance) C4'-P energy: -102.925
bonds (distance) P-C4' energy: -102.307
flat angles C4'-P-C4' energy: -121.897
flat angles P-C4'-P energy: -66.745
tors. eta vs tors. theta energy: -157.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -1843.191508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.191508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.191508 (E_RNA)
where:
Base-Base interactions energy: -1300.955
where: short stacking energy: -536.028
Base-Backbone interact. energy: -0.514
local terms energy: -541.723069
where:
bonds (distance) C4'-P energy: -102.304
bonds (distance) P-C4' energy: -107.757
flat angles C4'-P-C4' energy: -112.715
flat angles P-C4'-P energy: -76.411
tors. eta vs tors. theta energy: -142.536
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: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -1772.601110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.601110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.601110 (E_RNA)
where:
Base-Base interactions energy: -1254.993
where: short stacking energy: -512.200
Base-Backbone interact. energy: -0.093
local terms energy: -517.515269
where:
bonds (distance) C4'-P energy: -89.870
bonds (distance) P-C4' energy: -105.956
flat angles C4'-P-C4' energy: -120.926
flat angles P-C4'-P energy: -74.833
tors. eta vs tors. theta energy: -125.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -1764.469479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.469479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.469479 (E_RNA)
where:
Base-Base interactions energy: -1279.232
where: short stacking energy: -490.031
Base-Backbone interact. energy: 2.294
local terms energy: -487.531620
where:
bonds (distance) C4'-P energy: -80.098
bonds (distance) P-C4' energy: -97.461
flat angles C4'-P-C4' energy: -105.246
flat angles P-C4'-P energy: -72.655
tors. eta vs tors. theta energy: -132.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -1640.201172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.201172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.201172 (E_RNA)
where:
Base-Base interactions energy: -1144.656
where: short stacking energy: -464.740
Base-Backbone interact. energy: -1.263
local terms energy: -494.282215
where:
bonds (distance) C4'-P energy: -96.059
bonds (distance) P-C4' energy: -95.477
flat angles C4'-P-C4' energy: -107.538
flat angles P-C4'-P energy: -68.110
tors. eta vs tors. theta energy: -127.098
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: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -1462.930961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.930961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.930961 (E_RNA)
where:
Base-Base interactions energy: -1009.772
where: short stacking energy: -404.584
Base-Backbone interact. energy: -1.007
local terms energy: -452.152793
where:
bonds (distance) C4'-P energy: -97.380
bonds (distance) P-C4' energy: -72.129
flat angles C4'-P-C4' energy: -106.235
flat angles P-C4'-P energy: -58.863
tors. eta vs tors. theta energy: -117.545
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: 9
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -1369.006860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.006860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.006860 (E_RNA)
where:
Base-Base interactions energy: -947.664
where: short stacking energy: -407.245
Base-Backbone interact. energy: -1.685
local terms energy: -419.657778
where:
bonds (distance) C4'-P energy: -77.888
bonds (distance) P-C4' energy: -86.032
flat angles C4'-P-C4' energy: -96.053
flat angles P-C4'-P energy: -60.999
tors. eta vs tors. theta energy: -98.686
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: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -1350.529124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.529124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.529124 (E_RNA)
where:
Base-Base interactions energy: -909.598
where: short stacking energy: -393.371
Base-Backbone interact. energy: -1.890
local terms energy: -439.040935
where:
bonds (distance) C4'-P energy: -89.834
bonds (distance) P-C4' energy: -86.233
flat angles C4'-P-C4' energy: -86.861
flat angles P-C4'-P energy: -71.265
tors. eta vs tors. theta energy: -104.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -1138.778677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.778677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.778677 (E_RNA)
where:
Base-Base interactions energy: -739.539
where: short stacking energy: -311.948
Base-Backbone interact. energy: -2.297
local terms energy: -396.943567
where:
bonds (distance) C4'-P energy: -80.478
bonds (distance) P-C4' energy: -102.990
flat angles C4'-P-C4' energy: -86.275
flat angles P-C4'-P energy: -62.311
tors. eta vs tors. theta energy: -64.890
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: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -816.463885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -816.463885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -816.463885 (E_RNA)
where:
Base-Base interactions energy: -504.048
where: short stacking energy: -237.705
Base-Backbone interact. energy: 0.949
local terms energy: -313.364790
where:
bonds (distance) C4'-P energy: -91.071
bonds (distance) P-C4' energy: -88.969
flat angles C4'-P-C4' energy: -73.964
flat angles P-C4'-P energy: -39.748
tors. eta vs tors. theta energy: -19.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -1920.496260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1920.496260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1920.496260 (E_RNA)
where:
Base-Base interactions energy: -1391.058
where: short stacking energy: -563.302
Base-Backbone interact. energy: 3.477
local terms energy: -532.915258
where:
bonds (distance) C4'-P energy: -93.017
bonds (distance) P-C4' energy: -94.752
flat angles C4'-P-C4' energy: -114.494
flat angles P-C4'-P energy: -81.233
tors. eta vs tors. theta energy: -149.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -1863.149759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1863.149759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1863.149759 (E_RNA)
where:
Base-Base interactions energy: -1309.919
where: short stacking energy: -548.280
Base-Backbone interact. energy: -2.252
local terms energy: -550.978272
where:
bonds (distance) C4'-P energy: -88.202
bonds (distance) P-C4' energy: -99.692
flat angles C4'-P-C4' energy: -119.040
flat angles P-C4'-P energy: -83.651
tors. eta vs tors. theta energy: -160.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -1820.120028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.120028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.120028 (E_RNA)
where:
Base-Base interactions energy: -1290.513
where: short stacking energy: -491.504
Base-Backbone interact. energy: -0.613
local terms energy: -528.993694
where:
bonds (distance) C4'-P energy: -105.264
bonds (distance) P-C4' energy: -93.559
flat angles C4'-P-C4' energy: -111.316
flat angles P-C4'-P energy: -78.916
tors. eta vs tors. theta energy: -139.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -1742.648934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.648934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.648934 (E_RNA)
where:
Base-Base interactions energy: -1222.641
where: short stacking energy: -514.982
Base-Backbone interact. energy: -1.447
local terms energy: -518.561870
where:
bonds (distance) C4'-P energy: -96.732
bonds (distance) P-C4' energy: -104.770
flat angles C4'-P-C4' energy: -110.133
flat angles P-C4'-P energy: -74.961
tors. eta vs tors. theta energy: -131.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -1644.074042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.074042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.074042 (E_RNA)
where:
Base-Base interactions energy: -1166.282
where: short stacking energy: -474.428
Base-Backbone interact. energy: -3.174
local terms energy: -474.618004
where:
bonds (distance) C4'-P energy: -80.495
bonds (distance) P-C4' energy: -99.826
flat angles C4'-P-C4' energy: -106.102
flat angles P-C4'-P energy: -59.651
tors. eta vs tors. theta energy: -128.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -1462.140504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1462.140504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1462.140504 (E_RNA)
where:
Base-Base interactions energy: -988.721
where: short stacking energy: -390.885
Base-Backbone interact. energy: -1.385
local terms energy: -472.034969
where:
bonds (distance) C4'-P energy: -99.814
bonds (distance) P-C4' energy: -97.764
flat angles C4'-P-C4' energy: -97.774
flat angles P-C4'-P energy: -75.899
tors. eta vs tors. theta energy: -100.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -1393.908380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.908380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.908380 (E_RNA)
where:
Base-Base interactions energy: -941.952
where: short stacking energy: -418.590
Base-Backbone interact. energy: -1.841
local terms energy: -450.115562
where:
bonds (distance) C4'-P energy: -84.923
bonds (distance) P-C4' energy: -89.997
flat angles C4'-P-C4' energy: -100.827
flat angles P-C4'-P energy: -56.084
tors. eta vs tors. theta energy: -118.286
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: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -1306.542054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.542054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.542054 (E_RNA)
where:
Base-Base interactions energy: -912.341
where: short stacking energy: -363.821
Base-Backbone interact. energy: -2.329
local terms energy: -391.872417
where:
bonds (distance) C4'-P energy: -81.460
bonds (distance) P-C4' energy: -84.894
flat angles C4'-P-C4' energy: -88.605
flat angles P-C4'-P energy: -59.296
tors. eta vs tors. theta energy: -77.618
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: 9, replica: 6
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -1114.090091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1114.090091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1114.090091 (E_RNA)
where:
Base-Base interactions energy: -741.922
where: short stacking energy: -309.234
Base-Backbone interact. energy: -0.768
local terms energy: -371.400094
where:
bonds (distance) C4'-P energy: -88.166
bonds (distance) P-C4' energy: -73.812
flat angles C4'-P-C4' energy: -86.793
flat angles P-C4'-P energy: -52.503
tors. eta vs tors. theta energy: -70.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -843.012844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.012844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.012844 (E_RNA)
where:
Base-Base interactions energy: -542.781
where: short stacking energy: -248.346
Base-Backbone interact. energy: -0.816
local terms energy: -299.415710
where:
bonds (distance) C4'-P energy: -47.119
bonds (distance) P-C4' energy: -86.924
flat angles C4'-P-C4' energy: -82.809
flat angles P-C4'-P energy: -60.246
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: 1, replica: 1
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -1944.180380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.180380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.180380 (E_RNA)
where:
Base-Base interactions energy: -1375.620
where: short stacking energy: -550.782
Base-Backbone interact. energy: 5.664
local terms energy: -574.224997
where:
bonds (distance) C4'-P energy: -102.255
bonds (distance) P-C4' energy: -103.724
flat angles C4'-P-C4' energy: -123.553
flat angles P-C4'-P energy: -90.965
tors. eta vs tors. theta energy: -153.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -1853.603705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.603705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.603705 (E_RNA)
where:
Base-Base interactions energy: -1317.153
where: short stacking energy: -532.437
Base-Backbone interact. energy: -2.265
local terms energy: -534.186209
where:
bonds (distance) C4'-P energy: -98.098
bonds (distance) P-C4' energy: -97.706
flat angles C4'-P-C4' energy: -110.850
flat angles P-C4'-P energy: -76.091
tors. eta vs tors. theta energy: -151.441
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: 3, replica: 2
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -1821.526941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.526941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.526941 (E_RNA)
where:
Base-Base interactions energy: -1281.528
where: short stacking energy: -499.975
Base-Backbone interact. energy: 0.335
local terms energy: -540.334599
where:
bonds (distance) C4'-P energy: -100.891
bonds (distance) P-C4' energy: -105.721
flat angles C4'-P-C4' energy: -122.574
flat angles P-C4'-P energy: -72.379
tors. eta vs tors. theta energy: -138.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -1740.442224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.442224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.442224 (E_RNA)
where:
Base-Base interactions energy: -1225.983
where: short stacking energy: -504.706
Base-Backbone interact. energy: -1.240
local terms energy: -513.218788
where:
bonds (distance) C4'-P energy: -87.166
bonds (distance) P-C4' energy: -95.916
flat angles C4'-P-C4' energy: -113.423
flat angles P-C4'-P energy: -72.546
tors. eta vs tors. theta energy: -144.169
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: 5, replica: 3
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -1630.985293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.985293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.985293 (E_RNA)
where:
Base-Base interactions energy: -1147.820
where: short stacking energy: -467.118
Base-Backbone interact. energy: -0.900
local terms energy: -482.264856
where:
bonds (distance) C4'-P energy: -91.009
bonds (distance) P-C4' energy: -97.039
flat angles C4'-P-C4' energy: -100.683
flat angles P-C4'-P energy: -63.192
tors. eta vs tors. theta energy: -130.342
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: 5
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -1496.081856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.081856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.081856 (E_RNA)
where:
Base-Base interactions energy: -1045.151
where: short stacking energy: -431.475
Base-Backbone interact. energy: -4.080
local terms energy: -446.851020
where:
bonds (distance) C4'-P energy: -84.609
bonds (distance) P-C4' energy: -88.132
flat angles C4'-P-C4' energy: -102.346
flat angles P-C4'-P energy: -58.919
tors. eta vs tors. theta energy: -112.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -1349.399443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.399443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.399443 (E_RNA)
where:
Base-Base interactions energy: -906.948
where: short stacking energy: -404.546
Base-Backbone interact. energy: -2.309
local terms energy: -440.142829
where:
bonds (distance) C4'-P energy: -92.982
bonds (distance) P-C4' energy: -81.668
flat angles C4'-P-C4' energy: -101.966
flat angles P-C4'-P energy: -67.240
tors. eta vs tors. theta energy: -96.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -1376.041522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.041522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.041522 (E_RNA)
where:
Base-Base interactions energy: -966.119
where: short stacking energy: -390.389
Base-Backbone interact. energy: 2.770
local terms energy: -412.691767
where:
bonds (distance) C4'-P energy: -90.729
bonds (distance) P-C4' energy: -74.937
flat angles C4'-P-C4' energy: -103.714
flat angles P-C4'-P energy: -50.138
tors. eta vs tors. theta energy: -93.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -1143.436591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.436591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.436591 (E_RNA)
where:
Base-Base interactions energy: -754.650
where: short stacking energy: -338.701
Base-Backbone interact. energy: -0.980
local terms energy: -387.806668
where:
bonds (distance) C4'-P energy: -76.739
bonds (distance) P-C4' energy: -87.969
flat angles C4'-P-C4' energy: -94.678
flat angles P-C4'-P energy: -58.936
tors. eta vs tors. theta energy: -69.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -770.171693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.171693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.171693 (E_RNA)
where:
Base-Base interactions energy: -470.837
where: short stacking energy: -226.222
Base-Backbone interact. energy: -1.983
local terms energy: -297.351641
where:
bonds (distance) C4'-P energy: -73.555
bonds (distance) P-C4' energy: -82.215
flat angles C4'-P-C4' energy: -84.810
flat angles P-C4'-P energy: -49.985
tors. eta vs tors. theta energy: -6.786
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: 1
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -1928.706517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.706517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.706517 (E_RNA)
where:
Base-Base interactions energy: -1386.399
where: short stacking energy: -544.790
Base-Backbone interact. energy: 7.983
local terms energy: -550.290501
where:
bonds (distance) C4'-P energy: -111.513
bonds (distance) P-C4' energy: -106.729
flat angles C4'-P-C4' energy: -109.745
flat angles P-C4'-P energy: -69.811
tors. eta vs tors. theta energy: -152.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -1867.519030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.519030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.519030 (E_RNA)
where:
Base-Base interactions energy: -1326.685
where: short stacking energy: -545.109
Base-Backbone interact. energy: -2.598
local terms energy: -538.236308
where:
bonds (distance) C4'-P energy: -107.018
bonds (distance) P-C4' energy: -95.983
flat angles C4'-P-C4' energy: -115.167
flat angles P-C4'-P energy: -67.608
tors. eta vs tors. theta energy: -152.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -1824.143027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.143027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.143027 (E_RNA)
where:
Base-Base interactions energy: -1312.536
where: short stacking energy: -508.404
Base-Backbone interact. energy: -3.766
local terms energy: -507.841694
where:
bonds (distance) C4'-P energy: -77.554
bonds (distance) P-C4' energy: -101.520
flat angles C4'-P-C4' energy: -112.952
flat angles P-C4'-P energy: -82.471
tors. eta vs tors. theta energy: -133.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -1747.056738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.056738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.056738 (E_RNA)
where:
Base-Base interactions energy: -1241.667
where: short stacking energy: -507.966
Base-Backbone interact. energy: -1.400
local terms energy: -503.989345
where:
bonds (distance) C4'-P energy: -102.098
bonds (distance) P-C4' energy: -101.763
flat angles C4'-P-C4' energy: -93.435
flat angles P-C4'-P energy: -60.502
tors. eta vs tors. theta energy: -146.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -1618.446058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.446058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.446058 (E_RNA)
where:
Base-Base interactions energy: -1138.084
where: short stacking energy: -462.527
Base-Backbone interact. energy: -0.237
local terms energy: -480.124773
where:
bonds (distance) C4'-P energy: -93.573
bonds (distance) P-C4' energy: -86.368
flat angles C4'-P-C4' energy: -103.128
flat angles P-C4'-P energy: -79.165
tors. eta vs tors. theta energy: -117.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -1488.541552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.541552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.541552 (E_RNA)
where:
Base-Base interactions energy: -1030.789
where: short stacking energy: -437.061
Base-Backbone interact. energy: 3.882
local terms energy: -461.633916
where:
bonds (distance) C4'-P energy: -92.789
bonds (distance) P-C4' energy: -96.598
flat angles C4'-P-C4' energy: -94.920
flat angles P-C4'-P energy: -62.422
tors. eta vs tors. theta energy: -114.905
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: 9
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -1312.627052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.627052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.627052 (E_RNA)
where:
Base-Base interactions energy: -914.844
where: short stacking energy: -386.351
Base-Backbone interact. energy: -1.207
local terms energy: -396.575974
where:
bonds (distance) C4'-P energy: -73.704
bonds (distance) P-C4' energy: -84.953
flat angles C4'-P-C4' energy: -74.259
flat angles P-C4'-P energy: -72.671
tors. eta vs tors. theta energy: -90.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -1300.554385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.554385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.554385 (E_RNA)
where:
Base-Base interactions energy: -902.752
where: short stacking energy: -386.969
Base-Backbone interact. energy: -0.528
local terms energy: -397.274894
where:
bonds (distance) C4'-P energy: -88.494
bonds (distance) P-C4' energy: -82.196
flat angles C4'-P-C4' energy: -90.098
flat angles P-C4'-P energy: -59.378
tors. eta vs tors. theta energy: -77.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -1110.719309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.719309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.719309 (E_RNA)
where:
Base-Base interactions energy: -721.017
where: short stacking energy: -313.117
Base-Backbone interact. energy: 9.632
local terms energy: -399.334656
where:
bonds (distance) C4'-P energy: -82.317
bonds (distance) P-C4' energy: -92.989
flat angles C4'-P-C4' energy: -98.293
flat angles P-C4'-P energy: -60.923
tors. eta vs tors. theta energy: -64.813
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: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -769.152477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.152477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.152477 (E_RNA)
where:
Base-Base interactions energy: -481.267
where: short stacking energy: -226.068
Base-Backbone interact. energy: -2.915
local terms energy: -284.970663
where:
bonds (distance) C4'-P energy: -81.720
bonds (distance) P-C4' energy: -77.822
flat angles C4'-P-C4' energy: -79.167
flat angles P-C4'-P energy: -44.783
tors. eta vs tors. theta energy: -1.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -1928.107872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.107872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.107872 (E_RNA)
where:
Base-Base interactions energy: -1377.520
where: short stacking energy: -552.115
Base-Backbone interact. energy: 1.718
local terms energy: -552.305882
where:
bonds (distance) C4'-P energy: -93.633
bonds (distance) P-C4' energy: -99.291
flat angles C4'-P-C4' energy: -111.233
flat angles P-C4'-P energy: -95.636
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: 2, replica: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -1874.783839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.783839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.783839 (E_RNA)
where:
Base-Base interactions energy: -1320.521
where: short stacking energy: -549.785
Base-Backbone interact. energy: -2.366
local terms energy: -551.896894
where:
bonds (distance) C4'-P energy: -94.099
bonds (distance) P-C4' energy: -101.618
flat angles C4'-P-C4' energy: -123.296
flat angles P-C4'-P energy: -82.391
tors. eta vs tors. theta energy: -150.494
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: 2
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -1809.317405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.317405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.317405 (E_RNA)
where:
Base-Base interactions energy: -1309.471
where: short stacking energy: -508.593
Base-Backbone interact. energy: 2.601
local terms energy: -502.446889
where:
bonds (distance) C4'-P energy: -92.938
bonds (distance) P-C4' energy: -88.906
flat angles C4'-P-C4' energy: -109.617
flat angles P-C4'-P energy: -81.989
tors. eta vs tors. theta energy: -128.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -1729.073681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1729.073681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1729.073681 (E_RNA)
where:
Base-Base interactions energy: -1208.305
where: short stacking energy: -485.143
Base-Backbone interact. energy: -1.952
local terms energy: -518.816614
where:
bonds (distance) C4'-P energy: -92.055
bonds (distance) P-C4' energy: -92.635
flat angles C4'-P-C4' energy: -115.659
flat angles P-C4'-P energy: -81.049
tors. eta vs tors. theta energy: -137.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -1618.846290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.846290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.846290 (E_RNA)
where:
Base-Base interactions energy: -1150.873
where: short stacking energy: -452.794
Base-Backbone interact. energy: 2.113
local terms energy: -470.086179
where:
bonds (distance) C4'-P energy: -91.893
bonds (distance) P-C4' energy: -84.362
flat angles C4'-P-C4' energy: -109.545
flat angles P-C4'-P energy: -74.364
tors. eta vs tors. theta energy: -109.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -1469.548654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.548654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.548654 (E_RNA)
where:
Base-Base interactions energy: -1030.540
where: short stacking energy: -412.629
Base-Backbone interact. energy: -2.570
local terms energy: -436.438664
where:
bonds (distance) C4'-P energy: -82.129
bonds (distance) P-C4' energy: -100.001
flat angles C4'-P-C4' energy: -107.876
flat angles P-C4'-P energy: -62.658
tors. eta vs tors. theta energy: -83.774
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: 5
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -1394.836524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.836524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.836524 (E_RNA)
where:
Base-Base interactions energy: -976.670
where: short stacking energy: -382.531
Base-Backbone interact. energy: -5.363
local terms energy: -412.803152
where:
bonds (distance) C4'-P energy: -80.963
bonds (distance) P-C4' energy: -98.265
flat angles C4'-P-C4' energy: -90.024
flat angles P-C4'-P energy: -44.207
tors. eta vs tors. theta energy: -99.345
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: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -1312.572730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.572730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.572730 (E_RNA)
where:
Base-Base interactions energy: -897.500
where: short stacking energy: -375.942
Base-Backbone interact. energy: 3.817
local terms energy: -418.889623
where:
bonds (distance) C4'-P energy: -79.330
bonds (distance) P-C4' energy: -95.444
flat angles C4'-P-C4' energy: -93.309
flat angles P-C4'-P energy: -61.747
tors. eta vs tors. theta energy: -89.058
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: 6
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -1113.594502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.594502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.594502 (E_RNA)
where:
Base-Base interactions energy: -752.014
where: short stacking energy: -317.047
Base-Backbone interact. energy: 1.039
local terms energy: -362.619590
where:
bonds (distance) C4'-P energy: -86.284
bonds (distance) P-C4' energy: -70.365
flat angles C4'-P-C4' energy: -86.329
flat angles P-C4'-P energy: -60.111
tors. eta vs tors. theta energy: -59.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -777.978171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -777.978171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -777.978171 (E_RNA)
where:
Base-Base interactions energy: -471.130
where: short stacking energy: -252.839
Base-Backbone interact. energy: 1.569
local terms energy: -308.417184
where:
bonds (distance) C4'-P energy: -77.655
bonds (distance) P-C4' energy: -91.744
flat angles C4'-P-C4' energy: -71.105
flat angles P-C4'-P energy: -36.392
tors. eta vs tors. theta energy: -31.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -1951.544640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.544640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.544640 (E_RNA)
where:
Base-Base interactions energy: -1392.772
where: short stacking energy: -564.614
Base-Backbone interact. energy: -0.683
local terms energy: -558.090212
where:
bonds (distance) C4'-P energy: -98.067
bonds (distance) P-C4' energy: -103.755
flat angles C4'-P-C4' energy: -114.022
flat angles P-C4'-P energy: -87.487
tors. eta vs tors. theta energy: -154.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -1880.040443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.040443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.040443 (E_RNA)
where:
Base-Base interactions energy: -1327.878
where: short stacking energy: -529.647
Base-Backbone interact. energy: 0.410
local terms energy: -552.572620
where:
bonds (distance) C4'-P energy: -105.376
bonds (distance) P-C4' energy: -97.637
flat angles C4'-P-C4' energy: -119.085
flat angles P-C4'-P energy: -82.745
tors. eta vs tors. theta energy: -147.730
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: 2
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -1819.334001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.334001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.334001 (E_RNA)
where:
Base-Base interactions energy: -1306.013
where: short stacking energy: -508.178
Base-Backbone interact. energy: -3.161
local terms energy: -510.159779
where:
bonds (distance) C4'-P energy: -93.200
bonds (distance) P-C4' energy: -94.390
flat angles C4'-P-C4' energy: -120.854
flat angles P-C4'-P energy: -67.919
tors. eta vs tors. theta energy: -133.797
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: 8
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -1699.013097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.013097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.013097 (E_RNA)
where:
Base-Base interactions energy: -1202.242
where: short stacking energy: -472.703
Base-Backbone interact. energy: -0.792
local terms energy: -495.979134
where:
bonds (distance) C4'-P energy: -95.662
bonds (distance) P-C4' energy: -100.922
flat angles C4'-P-C4' energy: -114.626
flat angles P-C4'-P energy: -57.406
tors. eta vs tors. theta energy: -127.362
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: 3
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -1631.920979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.920979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.920979 (E_RNA)
where:
Base-Base interactions energy: -1150.117
where: short stacking energy: -469.204
Base-Backbone interact. energy: -1.154
local terms energy: -480.650464
where:
bonds (distance) C4'-P energy: -86.499
bonds (distance) P-C4' energy: -98.752
flat angles C4'-P-C4' energy: -90.225
flat angles P-C4'-P energy: -81.245
tors. eta vs tors. theta energy: -123.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -1434.542434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.542434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.542434 (E_RNA)
where:
Base-Base interactions energy: -1019.393
where: short stacking energy: -412.532
Base-Backbone interact. energy: -1.996
local terms energy: -413.153823
where:
bonds (distance) C4'-P energy: -84.915
bonds (distance) P-C4' energy: -82.021
flat angles C4'-P-C4' energy: -95.210
flat angles P-C4'-P energy: -48.068
tors. eta vs tors. theta energy: -102.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -1403.377789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.377789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.377789 (E_RNA)
where:
Base-Base interactions energy: -981.131
where: short stacking energy: -411.508
Base-Backbone interact. energy: -1.885
local terms energy: -420.361609
where:
bonds (distance) C4'-P energy: -82.672
bonds (distance) P-C4' energy: -87.171
flat angles C4'-P-C4' energy: -97.176
flat angles P-C4'-P energy: -55.163
tors. eta vs tors. theta energy: -98.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -1343.424914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1343.424914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1343.424914 (E_RNA)
where:
Base-Base interactions energy: -964.207
where: short stacking energy: -398.645
Base-Backbone interact. energy: 0.573
local terms energy: -379.791284
where:
bonds (distance) C4'-P energy: -68.392
bonds (distance) P-C4' energy: -81.842
flat angles C4'-P-C4' energy: -98.265
flat angles P-C4'-P energy: -43.770
tors. eta vs tors. theta energy: -87.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -1134.460580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.460580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.460580 (E_RNA)
where:
Base-Base interactions energy: -765.419
where: short stacking energy: -328.995
Base-Backbone interact. energy: 0.561
local terms energy: -369.602546
where:
bonds (distance) C4'-P energy: -72.487
bonds (distance) P-C4' energy: -88.881
flat angles C4'-P-C4' energy: -74.342
flat angles P-C4'-P energy: -56.755
tors. eta vs tors. theta energy: -77.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -764.145815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.145815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.145815 (E_RNA)
where:
Base-Base interactions energy: -451.332
where: short stacking energy: -220.389
Base-Backbone interact. energy: -2.657
local terms energy: -310.157391
where:
bonds (distance) C4'-P energy: -79.854
bonds (distance) P-C4' energy: -89.464
flat angles C4'-P-C4' energy: -82.309
flat angles P-C4'-P energy: -33.464
tors. eta vs tors. theta energy: -25.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -1930.636894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.636894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.636894 (E_RNA)
where:
Base-Base interactions energy: -1384.454
where: short stacking energy: -546.181
Base-Backbone interact. energy: -0.406
local terms energy: -545.777403
where:
bonds (distance) C4'-P energy: -109.853
bonds (distance) P-C4' energy: -91.551
flat angles C4'-P-C4' energy: -110.715
flat angles P-C4'-P energy: -84.238
tors. eta vs tors. theta energy: -149.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -1883.998754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.998754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.998754 (E_RNA)
where:
Base-Base interactions energy: -1342.304
where: short stacking energy: -541.998
Base-Backbone interact. energy: -1.884
local terms energy: -539.811199
where:
bonds (distance) C4'-P energy: -100.534
bonds (distance) P-C4' energy: -90.770
flat angles C4'-P-C4' energy: -111.564
flat angles P-C4'-P energy: -84.036
tors. eta vs tors. theta energy: -152.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -1836.983256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.983256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.983256 (E_RNA)
where:
Base-Base interactions energy: -1310.371
where: short stacking energy: -536.523
Base-Backbone interact. energy: -1.900
local terms energy: -524.712888
where:
bonds (distance) C4'-P energy: -96.728
bonds (distance) P-C4' energy: -100.680
flat angles C4'-P-C4' energy: -109.443
flat angles P-C4'-P energy: -75.244
tors. eta vs tors. theta energy: -142.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -1742.476260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.476260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.476260 (E_RNA)
where:
Base-Base interactions energy: -1238.897
where: short stacking energy: -489.385
Base-Backbone interact. energy: 0.817
local terms energy: -504.395629
where:
bonds (distance) C4'-P energy: -91.777
bonds (distance) P-C4' energy: -90.577
flat angles C4'-P-C4' energy: -112.218
flat angles P-C4'-P energy: -73.353
tors. eta vs tors. theta energy: -136.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -1638.555271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.555271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.555271 (E_RNA)
where:
Base-Base interactions energy: -1144.087
where: short stacking energy: -463.438
Base-Backbone interact. energy: -2.407
local terms energy: -492.060911
where:
bonds (distance) C4'-P energy: -85.796
bonds (distance) P-C4' energy: -105.620
flat angles C4'-P-C4' energy: -106.844
flat angles P-C4'-P energy: -73.365
tors. eta vs tors. theta energy: -120.435
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: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -1456.097831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.097831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.097831 (E_RNA)
where:
Base-Base interactions energy: -1002.238
where: short stacking energy: -422.838
Base-Backbone interact. energy: -2.586
local terms energy: -451.274454
where:
bonds (distance) C4'-P energy: -71.821
bonds (distance) P-C4' energy: -99.829
flat angles C4'-P-C4' energy: -101.044
flat angles P-C4'-P energy: -64.605
tors. eta vs tors. theta energy: -113.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -1411.515126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.515126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.515126 (E_RNA)
where:
Base-Base interactions energy: -987.299
where: short stacking energy: -401.702
Base-Backbone interact. energy: -0.397
local terms energy: -423.819250
where:
bonds (distance) C4'-P energy: -79.656
bonds (distance) P-C4' energy: -99.721
flat angles C4'-P-C4' energy: -94.319
flat angles P-C4'-P energy: -50.422
tors. eta vs tors. theta energy: -99.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -1334.370280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.370280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.370280 (E_RNA)
where:
Base-Base interactions energy: -908.512
where: short stacking energy: -372.541
Base-Backbone interact. energy: -4.164
local terms energy: -421.694464
where:
bonds (distance) C4'-P energy: -81.443
bonds (distance) P-C4' energy: -83.988
flat angles C4'-P-C4' energy: -96.673
flat angles P-C4'-P energy: -70.617
tors. eta vs tors. theta energy: -88.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -1140.261601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.261601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.261601 (E_RNA)
where:
Base-Base interactions energy: -749.174
where: short stacking energy: -328.425
Base-Backbone interact. energy: -0.110
local terms energy: -390.977920
where:
bonds (distance) C4'-P energy: -92.834
bonds (distance) P-C4' energy: -84.540
flat angles C4'-P-C4' energy: -102.384
flat angles P-C4'-P energy: -52.952
tors. eta vs tors. theta energy: -58.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -803.292970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.292970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.292970 (E_RNA)
where:
Base-Base interactions energy: -473.058
where: short stacking energy: -232.480
Base-Backbone interact. energy: 1.090
local terms energy: -331.324634
where:
bonds (distance) C4'-P energy: -87.349
bonds (distance) P-C4' energy: -79.120
flat angles C4'-P-C4' energy: -81.417
flat angles P-C4'-P energy: -43.593
tors. eta vs tors. theta energy: -39.846
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: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -1927.369879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.369879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.369879 (E_RNA)
where:
Base-Base interactions energy: -1384.266
where: short stacking energy: -560.405
Base-Backbone interact. energy: 0.554
local terms energy: -543.658359
where:
bonds (distance) C4'-P energy: -95.714
bonds (distance) P-C4' energy: -107.043
flat angles C4'-P-C4' energy: -127.464
flat angles P-C4'-P energy: -65.614
tors. eta vs tors. theta energy: -147.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -1904.937919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.937919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.937919 (E_RNA)
where:
Base-Base interactions energy: -1369.019
where: short stacking energy: -546.494
Base-Backbone interact. energy: 2.020
local terms energy: -537.939160
where:
bonds (distance) C4'-P energy: -101.346
bonds (distance) P-C4' energy: -101.205
flat angles C4'-P-C4' energy: -115.189
flat angles P-C4'-P energy: -76.639
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: 3, replica: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -1831.908236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.908236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.908236 (E_RNA)
where:
Base-Base interactions energy: -1284.947
where: short stacking energy: -516.089
Base-Backbone interact. energy: -0.819
local terms energy: -546.142508
where:
bonds (distance) C4'-P energy: -106.950
bonds (distance) P-C4' energy: -114.102
flat angles C4'-P-C4' energy: -115.099
flat angles P-C4'-P energy: -69.142
tors. eta vs tors. theta energy: -140.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -1726.621329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.621329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.621329 (E_RNA)
where:
Base-Base interactions energy: -1228.649
where: short stacking energy: -495.130
Base-Backbone interact. energy: 0.349
local terms energy: -498.321588
where:
bonds (distance) C4'-P energy: -92.691
bonds (distance) P-C4' energy: -91.844
flat angles C4'-P-C4' energy: -113.268
flat angles P-C4'-P energy: -68.016
tors. eta vs tors. theta energy: -132.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -1616.572691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.572691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.572691 (E_RNA)
where:
Base-Base interactions energy: -1181.038
where: short stacking energy: -465.732
Base-Backbone interact. energy: -0.616
local terms energy: -434.918561
where:
bonds (distance) C4'-P energy: -87.038
bonds (distance) P-C4' energy: -72.173
flat angles C4'-P-C4' energy: -95.419
flat angles P-C4'-P energy: -58.616
tors. eta vs tors. theta energy: -121.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -1418.042857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.042857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.042857 (E_RNA)
where:
Base-Base interactions energy: -977.756
where: short stacking energy: -408.033
Base-Backbone interact. energy: -1.663
local terms energy: -438.623095
where:
bonds (distance) C4'-P energy: -87.857
bonds (distance) P-C4' energy: -88.247
flat angles C4'-P-C4' energy: -111.616
flat angles P-C4'-P energy: -55.694
tors. eta vs tors. theta energy: -95.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -1471.636987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.636987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.636987 (E_RNA)
where:
Base-Base interactions energy: -1023.475
where: short stacking energy: -436.349
Base-Backbone interact. energy: -2.611
local terms energy: -445.550294
where:
bonds (distance) C4'-P energy: -90.862
bonds (distance) P-C4' energy: -74.270
flat angles C4'-P-C4' energy: -111.375
flat angles P-C4'-P energy: -69.307
tors. eta vs tors. theta energy: -99.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -1304.835068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.835068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.835068 (E_RNA)
where:
Base-Base interactions energy: -876.369
where: short stacking energy: -367.546
Base-Backbone interact. energy: -3.555
local terms energy: -424.911492
where:
bonds (distance) C4'-P energy: -92.561
bonds (distance) P-C4' energy: -89.348
flat angles C4'-P-C4' energy: -97.216
flat angles P-C4'-P energy: -63.638
tors. eta vs tors. theta energy: -82.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -1109.504338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1109.504338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1109.504338 (E_RNA)
where:
Base-Base interactions energy: -748.183
where: short stacking energy: -312.891
Base-Backbone interact. energy: 0.885
local terms energy: -362.206145
where:
bonds (distance) C4'-P energy: -77.470
bonds (distance) P-C4' energy: -82.479
flat angles C4'-P-C4' energy: -93.208
flat angles P-C4'-P energy: -53.329
tors. eta vs tors. theta energy: -55.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -791.017029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.017029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.017029 (E_RNA)
where:
Base-Base interactions energy: -492.257
where: short stacking energy: -222.711
Base-Backbone interact. energy: 2.118
local terms energy: -300.877382
where:
bonds (distance) C4'-P energy: -73.160
bonds (distance) P-C4' energy: -73.236
flat angles C4'-P-C4' energy: -86.256
flat angles P-C4'-P energy: -48.767
tors. eta vs tors. theta energy: -19.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -1945.755129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.755129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.755129 (E_RNA)
where:
Base-Base interactions energy: -1391.486
where: short stacking energy: -563.587
Base-Backbone interact. energy: -4.100
local terms energy: -550.169149
where:
bonds (distance) C4'-P energy: -99.304
bonds (distance) P-C4' energy: -102.126
flat angles C4'-P-C4' energy: -109.515
flat angles P-C4'-P energy: -85.921
tors. eta vs tors. theta energy: -153.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -1893.912789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.912789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.912789 (E_RNA)
where:
Base-Base interactions energy: -1360.525
where: short stacking energy: -537.381
Base-Backbone interact. energy: 0.791
local terms energy: -534.179550
where:
bonds (distance) C4'-P energy: -111.589
bonds (distance) P-C4' energy: -101.957
flat angles C4'-P-C4' energy: -113.277
flat angles P-C4'-P energy: -56.556
tors. eta vs tors. theta energy: -150.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -1866.874462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.874462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.874462 (E_RNA)
where:
Base-Base interactions energy: -1321.341
where: short stacking energy: -527.428
Base-Backbone interact. energy: -0.839
local terms energy: -544.694072
where:
bonds (distance) C4'-P energy: -93.332
bonds (distance) P-C4' energy: -85.794
flat angles C4'-P-C4' energy: -116.747
flat angles P-C4'-P energy: -88.051
tors. eta vs tors. theta energy: -160.769
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: 8
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -1764.740022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.740022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.740022 (E_RNA)
where:
Base-Base interactions energy: -1240.684
where: short stacking energy: -503.420
Base-Backbone interact. energy: 1.354
local terms energy: -525.410253
where:
bonds (distance) C4'-P energy: -96.075
bonds (distance) P-C4' energy: -91.216
flat angles C4'-P-C4' energy: -116.753
flat angles P-C4'-P energy: -82.095
tors. eta vs tors. theta energy: -139.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -1609.888964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1609.888964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1609.888964 (E_RNA)
where:
Base-Base interactions energy: -1120.281
where: short stacking energy: -448.230
Base-Backbone interact. energy: -4.006
local terms energy: -485.601964
where:
bonds (distance) C4'-P energy: -92.428
bonds (distance) P-C4' energy: -99.990
flat angles C4'-P-C4' energy: -108.207
flat angles P-C4'-P energy: -75.462
tors. eta vs tors. theta energy: -109.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -1499.453074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.453074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.453074 (E_RNA)
where:
Base-Base interactions energy: -1025.300
where: short stacking energy: -431.947
Base-Backbone interact. energy: -0.029
local terms energy: -474.124285
where:
bonds (distance) C4'-P energy: -87.354
bonds (distance) P-C4' energy: -90.434
flat angles C4'-P-C4' energy: -123.184
flat angles P-C4'-P energy: -67.494
tors. eta vs tors. theta energy: -105.659
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: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -1368.160816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.160816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.160816 (E_RNA)
where:
Base-Base interactions energy: -957.321
where: short stacking energy: -405.900
Base-Backbone interact. energy: 1.972
local terms energy: -412.811258
where:
bonds (distance) C4'-P energy: -77.743
bonds (distance) P-C4' energy: -74.479
flat angles C4'-P-C4' energy: -106.022
flat angles P-C4'-P energy: -55.670
tors. eta vs tors. theta energy: -98.896
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: 279
Temperature: 1.250000
Total energy: -1329.141031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.141031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.141031 (E_RNA)
where:
Base-Base interactions energy: -940.063
where: short stacking energy: -379.173
Base-Backbone interact. energy: -0.269
local terms energy: -388.808685
where:
bonds (distance) C4'-P energy: -82.691
bonds (distance) P-C4' energy: -94.602
flat angles C4'-P-C4' energy: -78.064
flat angles P-C4'-P energy: -60.433
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: 6
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -1084.475384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.475384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.475384 (E_RNA)
where:
Base-Base interactions energy: -717.960
where: short stacking energy: -298.666
Base-Backbone interact. energy: -2.067
local terms energy: -364.448359
where:
bonds (distance) C4'-P energy: -73.708
bonds (distance) P-C4' energy: -89.513
flat angles C4'-P-C4' energy: -84.683
flat angles P-C4'-P energy: -61.644
tors. eta vs tors. theta energy: -54.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -812.809933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.809933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.809933 (E_RNA)
where:
Base-Base interactions energy: -493.982
where: short stacking energy: -232.020
Base-Backbone interact. energy: -0.906
local terms energy: -317.922693
where:
bonds (distance) C4'-P energy: -84.929
bonds (distance) P-C4' energy: -91.359
flat angles C4'-P-C4' energy: -71.239
flat angles P-C4'-P energy: -49.282
tors. eta vs tors. theta energy: -21.113
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: 280
Temperature: 0.900000
Total energy: -1958.333020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.333020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.333020 (E_RNA)
where:
Base-Base interactions energy: -1402.252
where: short stacking energy: -567.004
Base-Backbone interact. energy: -4.615
local terms energy: -551.466015
where:
bonds (distance) C4'-P energy: -96.307
bonds (distance) P-C4' energy: -95.593
flat angles C4'-P-C4' energy: -117.264
flat angles P-C4'-P energy: -79.140
tors. eta vs tors. theta energy: -163.164
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: 280
Temperature: 0.950000
Total energy: -1878.280016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.280016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.280016 (E_RNA)
where:
Base-Base interactions energy: -1329.529
where: short stacking energy: -516.963
Base-Backbone interact. energy: 2.280
local terms energy: -551.031284
where:
bonds (distance) C4'-P energy: -110.091
bonds (distance) P-C4' energy: -96.296
flat angles C4'-P-C4' energy: -118.443
flat angles P-C4'-P energy: -78.050
tors. eta vs tors. theta energy: -148.151
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: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -1830.749301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.749301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.749301 (E_RNA)
where:
Base-Base interactions energy: -1300.852
where: short stacking energy: -536.509
Base-Backbone interact. energy: -1.845
local terms energy: -528.052649
where:
bonds (distance) C4'-P energy: -92.272
bonds (distance) P-C4' energy: -104.927
flat angles C4'-P-C4' energy: -111.837
flat angles P-C4'-P energy: -65.926
tors. eta vs tors. theta energy: -153.090
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: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -1735.383063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.383063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.383063 (E_RNA)
where:
Base-Base interactions energy: -1232.059
where: short stacking energy: -489.815
Base-Backbone interact. energy: -1.556
local terms energy: -501.768017
where:
bonds (distance) C4'-P energy: -84.159
bonds (distance) P-C4' energy: -97.691
flat angles C4'-P-C4' energy: -105.916
flat angles P-C4'-P energy: -76.767
tors. eta vs tors. theta energy: -137.235
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: 280
Temperature: 1.100000
Total energy: -1651.885668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.885668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.885668 (E_RNA)
where:
Base-Base interactions energy: -1155.776
where: short stacking energy: -478.169
Base-Backbone interact. energy: 4.330
local terms energy: -500.439632
where:
bonds (distance) C4'-P energy: -90.460
bonds (distance) P-C4' energy: -99.043
flat angles C4'-P-C4' energy: -104.862
flat angles P-C4'-P energy: -78.320
tors. eta vs tors. theta energy: -127.754
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: 6, replica: 9
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -1496.526526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.526526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.526526 (E_RNA)
where:
Base-Base interactions energy: -1023.971
where: short stacking energy: -423.528
Base-Backbone interact. energy: -0.694
local terms energy: -471.861235
where:
bonds (distance) C4'-P energy: -93.743
bonds (distance) P-C4' energy: -91.354
flat angles C4'-P-C4' energy: -103.879
flat angles P-C4'-P energy: -73.913
tors. eta vs tors. theta energy: -108.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -1368.078947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.078947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.078947 (E_RNA)
where:
Base-Base interactions energy: -942.840
where: short stacking energy: -397.899
Base-Backbone interact. energy: 1.760
local terms energy: -426.998414
where:
bonds (distance) C4'-P energy: -83.458
bonds (distance) P-C4' energy: -87.955
flat angles C4'-P-C4' energy: -100.959
flat angles P-C4'-P energy: -55.395
tors. eta vs tors. theta energy: -99.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -1367.061096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.061096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.061096 (E_RNA)
where:
Base-Base interactions energy: -937.679
where: short stacking energy: -384.852
Base-Backbone interact. energy: -0.758
local terms energy: -428.623612
where:
bonds (distance) C4'-P energy: -83.626
bonds (distance) P-C4' energy: -95.569
flat angles C4'-P-C4' energy: -92.003
flat angles P-C4'-P energy: -60.886
tors. eta vs tors. theta energy: -96.540
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: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -1112.176120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.176120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.176120 (E_RNA)
where:
Base-Base interactions energy: -741.959
where: short stacking energy: -314.750
Base-Backbone interact. energy: -1.144
local terms energy: -369.073090
where:
bonds (distance) C4'-P energy: -93.404
bonds (distance) P-C4' energy: -83.622
flat angles C4'-P-C4' energy: -83.673
flat angles P-C4'-P energy: -47.794
tors. eta vs tors. theta energy: -60.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -782.336640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -782.336640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -782.336640 (E_RNA)
where:
Base-Base interactions energy: -462.494
where: short stacking energy: -235.866
Base-Backbone interact. energy: 8.128
local terms energy: -327.969829
where:
bonds (distance) C4'-P energy: -80.097
bonds (distance) P-C4' energy: -93.927
flat angles C4'-P-C4' energy: -75.363
flat angles P-C4'-P energy: -49.809
tors. eta vs tors. theta energy: -28.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -1940.920917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.920917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.920917 (E_RNA)
where:
Base-Base interactions energy: -1396.698
where: short stacking energy: -548.267
Base-Backbone interact. energy: -2.933
local terms energy: -541.289692
where:
bonds (distance) C4'-P energy: -97.653
bonds (distance) P-C4' energy: -101.033
flat angles C4'-P-C4' energy: -120.412
flat angles P-C4'-P energy: -70.506
tors. eta vs tors. theta energy: -151.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -1896.026314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.026314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.026314 (E_RNA)
where:
Base-Base interactions energy: -1339.818
where: short stacking energy: -535.687
Base-Backbone interact. energy: 0.603
local terms energy: -556.811226
where:
bonds (distance) C4'-P energy: -108.757
bonds (distance) P-C4' energy: -113.234
flat angles C4'-P-C4' energy: -114.154
flat angles P-C4'-P energy: -75.209
tors. eta vs tors. theta energy: -145.458
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: 4
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -1833.979562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.979562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.979562 (E_RNA)
where:
Base-Base interactions energy: -1309.202
where: short stacking energy: -541.978
Base-Backbone interact. energy: -1.228
local terms energy: -523.550540
where:
bonds (distance) C4'-P energy: -80.301
bonds (distance) P-C4' energy: -99.490
flat angles C4'-P-C4' energy: -118.553
flat angles P-C4'-P energy: -67.862
tors. eta vs tors. theta energy: -157.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -1746.578024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.578024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.578024 (E_RNA)
where:
Base-Base interactions energy: -1229.819
where: short stacking energy: -491.960
Base-Backbone interact. energy: -3.091
local terms energy: -513.667881
where:
bonds (distance) C4'-P energy: -81.921
bonds (distance) P-C4' energy: -113.253
flat angles C4'-P-C4' energy: -109.535
flat angles P-C4'-P energy: -73.939
tors. eta vs tors. theta energy: -135.019
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: 3
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -1640.806352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.806352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.806352 (E_RNA)
where:
Base-Base interactions energy: -1141.386
where: short stacking energy: -444.240
Base-Backbone interact. energy: 1.086
local terms energy: -500.506411
where:
bonds (distance) C4'-P energy: -89.133
bonds (distance) P-C4' energy: -96.769
flat angles C4'-P-C4' energy: -118.172
flat angles P-C4'-P energy: -69.172
tors. eta vs tors. theta energy: -127.260
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: 9
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -1499.586386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.586386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.586386 (E_RNA)
where:
Base-Base interactions energy: -1032.348
where: short stacking energy: -428.488
Base-Backbone interact. energy: -2.405
local terms energy: -464.833599
where:
bonds (distance) C4'-P energy: -92.214
bonds (distance) P-C4' energy: -88.169
flat angles C4'-P-C4' energy: -99.766
flat angles P-C4'-P energy: -65.467
tors. eta vs tors. theta energy: -119.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -1287.626536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.626536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.626536 (E_RNA)
where:
Base-Base interactions energy: -881.067
where: short stacking energy: -358.648
Base-Backbone interact. energy: 3.024
local terms energy: -409.583597
where:
bonds (distance) C4'-P energy: -99.166
bonds (distance) P-C4' energy: -88.166
flat angles C4'-P-C4' energy: -98.675
flat angles P-C4'-P energy: -54.672
tors. eta vs tors. theta energy: -68.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -1358.855867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.855867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.855867 (E_RNA)
where:
Base-Base interactions energy: -928.214
where: short stacking energy: -382.745
Base-Backbone interact. energy: -1.094
local terms energy: -429.548171
where:
bonds (distance) C4'-P energy: -83.529
bonds (distance) P-C4' energy: -91.286
flat angles C4'-P-C4' energy: -103.634
flat angles P-C4'-P energy: -57.699
tors. eta vs tors. theta energy: -93.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -1129.235474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.235474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.235474 (E_RNA)
where:
Base-Base interactions energy: -768.528
where: short stacking energy: -336.372
Base-Backbone interact. energy: -1.925
local terms energy: -358.782597
where:
bonds (distance) C4'-P energy: -90.045
bonds (distance) P-C4' energy: -75.392
flat angles C4'-P-C4' energy: -90.620
flat angles P-C4'-P energy: -41.129
tors. eta vs tors. theta energy: -61.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -657.781767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.781767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.781767 (E_RNA)
where:
Base-Base interactions energy: -353.444
where: short stacking energy: -180.148
Base-Backbone interact. energy: 3.983
local terms energy: -308.320811
where:
bonds (distance) C4'-P energy: -73.482
bonds (distance) P-C4' energy: -86.902
flat angles C4'-P-C4' energy: -88.788
flat angles P-C4'-P energy: -40.631
tors. eta vs tors. theta energy: -18.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -1947.318250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.318250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.318250 (E_RNA)
where:
Base-Base interactions energy: -1380.038
where: short stacking energy: -553.992
Base-Backbone interact. energy: -1.367
local terms energy: -565.913341
where:
bonds (distance) C4'-P energy: -112.442
bonds (distance) P-C4' energy: -102.754
flat angles C4'-P-C4' energy: -119.365
flat angles P-C4'-P energy: -80.446
tors. eta vs tors. theta energy: -150.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -1884.948501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.948501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.948501 (E_RNA)
where:
Base-Base interactions energy: -1350.440
where: short stacking energy: -533.641
Base-Backbone interact. energy: -0.291
local terms energy: -534.217358
where:
bonds (distance) C4'-P energy: -89.415
bonds (distance) P-C4' energy: -105.811
flat angles C4'-P-C4' energy: -114.658
flat angles P-C4'-P energy: -80.839
tors. eta vs tors. theta energy: -143.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -1823.157497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.157497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.157497 (E_RNA)
where:
Base-Base interactions energy: -1278.266
where: short stacking energy: -517.407
Base-Backbone interact. energy: 0.741
local terms energy: -545.632119
where:
bonds (distance) C4'-P energy: -103.347
bonds (distance) P-C4' energy: -102.883
flat angles C4'-P-C4' energy: -111.261
flat angles P-C4'-P energy: -77.426
tors. eta vs tors. theta energy: -150.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -1734.700810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.700810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.700810 (E_RNA)
where:
Base-Base interactions energy: -1202.874
where: short stacking energy: -498.741
Base-Backbone interact. energy: -1.230
local terms energy: -530.597009
where:
bonds (distance) C4'-P energy: -99.571
bonds (distance) P-C4' energy: -109.590
flat angles C4'-P-C4' energy: -107.531
flat angles P-C4'-P energy: -75.825
tors. eta vs tors. theta energy: -138.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -1664.621110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.621110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.621110 (E_RNA)
where:
Base-Base interactions energy: -1169.473
where: short stacking energy: -474.746
Base-Backbone interact. energy: -1.710
local terms energy: -493.438779
where:
bonds (distance) C4'-P energy: -101.818
bonds (distance) P-C4' energy: -96.704
flat angles C4'-P-C4' energy: -96.958
flat angles P-C4'-P energy: -63.071
tors. eta vs tors. theta energy: -134.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -1463.468558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.468558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.468558 (E_RNA)
where:
Base-Base interactions energy: -1030.960
where: short stacking energy: -405.190
Base-Backbone interact. energy: 0.313
local terms energy: -432.821259
where:
bonds (distance) C4'-P energy: -86.040
bonds (distance) P-C4' energy: -84.717
flat angles C4'-P-C4' energy: -115.905
flat angles P-C4'-P energy: -53.953
tors. eta vs tors. theta energy: -92.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -1423.505560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1423.505560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1423.505560 (E_RNA)
where:
Base-Base interactions energy: -977.050
where: short stacking energy: -410.026
Base-Backbone interact. energy: -2.422
local terms energy: -444.032804
where:
bonds (distance) C4'-P energy: -80.624
bonds (distance) P-C4' energy: -77.552
flat angles C4'-P-C4' energy: -105.926
flat angles P-C4'-P energy: -73.446
tors. eta vs tors. theta energy: -106.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -1274.152042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.152042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.152042 (E_RNA)
where:
Base-Base interactions energy: -866.211
where: short stacking energy: -358.859
Base-Backbone interact. energy: -1.319
local terms energy: -406.622335
where:
bonds (distance) C4'-P energy: -95.953
bonds (distance) P-C4' energy: -92.202
flat angles C4'-P-C4' energy: -72.595
flat angles P-C4'-P energy: -66.831
tors. eta vs tors. theta energy: -79.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -1111.185791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1111.185791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1111.185791 (E_RNA)
where:
Base-Base interactions energy: -740.372
where: short stacking energy: -294.168
Base-Backbone interact. energy: 3.284
local terms energy: -374.097825
where:
bonds (distance) C4'-P energy: -86.807
bonds (distance) P-C4' energy: -99.951
flat angles C4'-P-C4' energy: -71.943
flat angles P-C4'-P energy: -59.858
tors. eta vs tors. theta energy: -55.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -759.910813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.910813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.910813 (E_RNA)
where:
Base-Base interactions energy: -432.615
where: short stacking energy: -211.179
Base-Backbone interact. energy: -1.887
local terms energy: -325.408733
where:
bonds (distance) C4'-P energy: -81.585
bonds (distance) P-C4' energy: -92.428
flat angles C4'-P-C4' energy: -72.412
flat angles P-C4'-P energy: -52.122
tors. eta vs tors. theta energy: -26.862
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: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -1970.644422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.644422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.644422 (E_RNA)
where:
Base-Base interactions energy: -1400.169
where: short stacking energy: -569.423
Base-Backbone interact. energy: -1.674
local terms energy: -568.801892
where:
bonds (distance) C4'-P energy: -100.811
bonds (distance) P-C4' energy: -112.151
flat angles C4'-P-C4' energy: -115.067
flat angles P-C4'-P energy: -75.517
tors. eta vs tors. theta energy: -165.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -1901.381645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.381645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.381645 (E_RNA)
where:
Base-Base interactions energy: -1373.713
where: short stacking energy: -550.649
Base-Backbone interact. energy: -1.828
local terms energy: -525.840183
where:
bonds (distance) C4'-P energy: -83.929
bonds (distance) P-C4' energy: -109.664
flat angles C4'-P-C4' energy: -115.320
flat angles P-C4'-P energy: -67.547
tors. eta vs tors. theta energy: -149.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -1823.448124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.448124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.448124 (E_RNA)
where:
Base-Base interactions energy: -1285.087
where: short stacking energy: -538.438
Base-Backbone interact. energy: -2.695
local terms energy: -535.665931
where:
bonds (distance) C4'-P energy: -98.792
bonds (distance) P-C4' energy: -100.098
flat angles C4'-P-C4' energy: -107.293
flat angles P-C4'-P energy: -80.427
tors. eta vs tors. theta energy: -149.055
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: 4, replica: 8
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -1721.122364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.122364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.122364 (E_RNA)
where:
Base-Base interactions energy: -1226.119
where: short stacking energy: -507.243
Base-Backbone interact. energy: -2.737
local terms energy: -492.267110
where:
bonds (distance) C4'-P energy: -88.680
bonds (distance) P-C4' energy: -104.302
flat angles C4'-P-C4' energy: -115.612
flat angles P-C4'-P energy: -54.440
tors. eta vs tors. theta energy: -129.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -1654.707891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.707891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.707891 (E_RNA)
where:
Base-Base interactions energy: -1167.314
where: short stacking energy: -484.755
Base-Backbone interact. energy: 1.040
local terms energy: -488.434463
where:
bonds (distance) C4'-P energy: -97.997
bonds (distance) P-C4' energy: -96.798
flat angles C4'-P-C4' energy: -108.126
flat angles P-C4'-P energy: -49.326
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: 9
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -1476.505932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.505932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.505932 (E_RNA)
where:
Base-Base interactions energy: -1027.850
where: short stacking energy: -423.597
Base-Backbone interact. energy: -3.243
local terms energy: -445.412937
where:
bonds (distance) C4'-P energy: -83.889
bonds (distance) P-C4' energy: -84.714
flat angles C4'-P-C4' energy: -109.891
flat angles P-C4'-P energy: -65.038
tors. eta vs tors. theta energy: -101.882
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: 7
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -1368.671122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.671122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.671122 (E_RNA)
where:
Base-Base interactions energy: -948.112
where: short stacking energy: -397.861
Base-Backbone interact. energy: -1.821
local terms energy: -418.738790
where:
bonds (distance) C4'-P energy: -87.088
bonds (distance) P-C4' energy: -80.319
flat angles C4'-P-C4' energy: -103.716
flat angles P-C4'-P energy: -58.656
tors. eta vs tors. theta energy: -88.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -1254.800753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.800753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.800753 (E_RNA)
where:
Base-Base interactions energy: -847.405
where: short stacking energy: -366.712
Base-Backbone interact. energy: -3.119
local terms energy: -404.276233
where:
bonds (distance) C4'-P energy: -83.574
bonds (distance) P-C4' energy: -90.207
flat angles C4'-P-C4' energy: -100.831
flat angles P-C4'-P energy: -47.186
tors. eta vs tors. theta energy: -82.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -1116.630464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1116.630464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1116.630464 (E_RNA)
where:
Base-Base interactions energy: -753.792
where: short stacking energy: -331.266
Base-Backbone interact. energy: -0.445
local terms energy: -362.393904
where:
bonds (distance) C4'-P energy: -68.049
bonds (distance) P-C4' energy: -73.570
flat angles C4'-P-C4' energy: -87.368
flat angles P-C4'-P energy: -66.394
tors. eta vs tors. theta energy: -67.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -831.600831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.600831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.600831 (E_RNA)
where:
Base-Base interactions energy: -520.437
where: short stacking energy: -236.145
Base-Backbone interact. energy: -1.351
local terms energy: -309.813154
where:
bonds (distance) C4'-P energy: -92.203
bonds (distance) P-C4' energy: -79.025
flat angles C4'-P-C4' energy: -89.049
flat angles P-C4'-P energy: -31.704
tors. eta vs tors. theta energy: -17.832
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: 1, replica: 2
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -1963.175662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.175662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.175662 (E_RNA)
where:
Base-Base interactions energy: -1414.919
where: short stacking energy: -549.123
Base-Backbone interact. energy: 1.116
local terms energy: -549.372761
where:
bonds (distance) C4'-P energy: -98.766
bonds (distance) P-C4' energy: -106.096
flat angles C4'-P-C4' energy: -122.889
flat angles P-C4'-P energy: -74.255
tors. eta vs tors. theta energy: -147.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -1913.068980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.068980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.068980 (E_RNA)
where:
Base-Base interactions energy: -1376.318
where: short stacking energy: -553.288
Base-Backbone interact. energy: -0.357
local terms energy: -536.393964
where:
bonds (distance) C4'-P energy: -103.648
bonds (distance) P-C4' energy: -94.477
flat angles C4'-P-C4' energy: -112.222
flat angles P-C4'-P energy: -74.899
tors. eta vs tors. theta energy: -151.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -1794.400535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1794.400535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1794.400535 (E_RNA)
where:
Base-Base interactions energy: -1288.809
where: short stacking energy: -522.743
Base-Backbone interact. energy: 3.761
local terms energy: -509.353383
where:
bonds (distance) C4'-P energy: -87.315
bonds (distance) P-C4' energy: -94.577
flat angles C4'-P-C4' energy: -110.597
flat angles P-C4'-P energy: -75.326
tors. eta vs tors. theta energy: -141.538
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: 4
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -1771.461437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.461437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.461437 (E_RNA)
where:
Base-Base interactions energy: -1243.123
where: short stacking energy: -512.609
Base-Backbone interact. energy: 0.475
local terms energy: -528.813696
where:
bonds (distance) C4'-P energy: -92.690
bonds (distance) P-C4' energy: -98.505
flat angles C4'-P-C4' energy: -120.572
flat angles P-C4'-P energy: -69.826
tors. eta vs tors. theta energy: -147.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -1654.280594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.280594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.280594 (E_RNA)
where:
Base-Base interactions energy: -1171.372
where: short stacking energy: -474.968
Base-Backbone interact. energy: 1.276
local terms energy: -484.185184
where:
bonds (distance) C4'-P energy: -94.315
bonds (distance) P-C4' energy: -93.244
flat angles C4'-P-C4' energy: -97.995
flat angles P-C4'-P energy: -79.643
tors. eta vs tors. theta energy: -118.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -1475.560201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.560201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.560201 (E_RNA)
where:
Base-Base interactions energy: -1011.950
where: short stacking energy: -453.449
Base-Backbone interact. energy: 5.789
local terms energy: -469.399829
where:
bonds (distance) C4'-P energy: -87.306
bonds (distance) P-C4' energy: -94.437
flat angles C4'-P-C4' energy: -98.759
flat angles P-C4'-P energy: -66.537
tors. eta vs tors. theta energy: -122.361
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: 7
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -1403.437186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1403.437186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1403.437186 (E_RNA)
where:
Base-Base interactions energy: -985.848
where: short stacking energy: -404.424
Base-Backbone interact. energy: -0.426
local terms energy: -417.162833
where:
bonds (distance) C4'-P energy: -76.204
bonds (distance) P-C4' energy: -83.017
flat angles C4'-P-C4' energy: -99.671
flat angles P-C4'-P energy: -69.803
tors. eta vs tors. theta energy: -88.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -1304.279796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.279796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.279796 (E_RNA)
where:
Base-Base interactions energy: -900.961
where: short stacking energy: -371.214
Base-Backbone interact. energy: 2.755
local terms energy: -406.073583
where:
bonds (distance) C4'-P energy: -91.449
bonds (distance) P-C4' energy: -85.095
flat angles C4'-P-C4' energy: -101.053
flat angles P-C4'-P energy: -50.168
tors. eta vs tors. theta energy: -78.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -1141.733620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.733620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.733620 (E_RNA)
where:
Base-Base interactions energy: -773.143
where: short stacking energy: -326.826
Base-Backbone interact. energy: -1.282
local terms energy: -367.309296
where:
bonds (distance) C4'-P energy: -77.846
bonds (distance) P-C4' energy: -99.317
flat angles C4'-P-C4' energy: -89.064
flat angles P-C4'-P energy: -41.532
tors. eta vs tors. theta energy: -59.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -740.326461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -740.326461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -740.326461 (E_RNA)
where:
Base-Base interactions energy: -434.274
where: short stacking energy: -225.590
Base-Backbone interact. energy: 5.458
local terms energy: -311.510626
where:
bonds (distance) C4'-P energy: -78.012
bonds (distance) P-C4' energy: -89.864
flat angles C4'-P-C4' energy: -74.003
flat angles P-C4'-P energy: -50.664
tors. eta vs tors. theta energy: -18.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -1946.855780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.855780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.855780 (E_RNA)
where:
Base-Base interactions energy: -1390.277
where: short stacking energy: -558.591
Base-Backbone interact. energy: -4.421
local terms energy: -552.157916
where:
bonds (distance) C4'-P energy: -101.481
bonds (distance) P-C4' energy: -104.753
flat angles C4'-P-C4' energy: -123.706
flat angles P-C4'-P energy: -67.098
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: 2, replica: 8
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -1842.560341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.560341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.560341 (E_RNA)
where:
Base-Base interactions energy: -1302.467
where: short stacking energy: -531.760
Base-Backbone interact. energy: 2.291
local terms energy: -542.383701
where:
bonds (distance) C4'-P energy: -97.850
bonds (distance) P-C4' energy: -105.130
flat angles C4'-P-C4' energy: -113.790
flat angles P-C4'-P energy: -78.419
tors. eta vs tors. theta energy: -147.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -1878.239049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.239049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.239049 (E_RNA)
where:
Base-Base interactions energy: -1366.003
where: short stacking energy: -538.459
Base-Backbone interact. energy: 1.495
local terms energy: -513.730443
where:
bonds (distance) C4'-P energy: -88.097
bonds (distance) P-C4' energy: -94.976
flat angles C4'-P-C4' energy: -117.367
flat angles P-C4'-P energy: -72.815
tors. eta vs tors. theta energy: -140.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -1761.323870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.323870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.323870 (E_RNA)
where:
Base-Base interactions energy: -1252.864
where: short stacking energy: -513.917
Base-Backbone interact. energy: 1.403
local terms energy: -509.862852
where:
bonds (distance) C4'-P energy: -88.040
bonds (distance) P-C4' energy: -99.291
flat angles C4'-P-C4' energy: -105.819
flat angles P-C4'-P energy: -75.324
tors. eta vs tors. theta energy: -141.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -1622.348938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.348938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.348938 (E_RNA)
where:
Base-Base interactions energy: -1150.314
where: short stacking energy: -475.516
Base-Backbone interact. energy: -1.640
local terms energy: -470.394772
where:
bonds (distance) C4'-P energy: -84.610
bonds (distance) P-C4' energy: -89.669
flat angles C4'-P-C4' energy: -104.242
flat angles P-C4'-P energy: -61.061
tors. eta vs tors. theta energy: -130.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -1500.859193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.859193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.859193 (E_RNA)
where:
Base-Base interactions energy: -1045.518
where: short stacking energy: -436.413
Base-Backbone interact. energy: 0.642
local terms energy: -455.982776
where:
bonds (distance) C4'-P energy: -92.472
bonds (distance) P-C4' energy: -84.218
flat angles C4'-P-C4' energy: -97.717
flat angles P-C4'-P energy: -73.238
tors. eta vs tors. theta energy: -108.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -1448.724299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.724299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.724299 (E_RNA)
where:
Base-Base interactions energy: -1029.909
where: short stacking energy: -430.101
Base-Backbone interact. energy: -1.336
local terms energy: -417.479297
where:
bonds (distance) C4'-P energy: -76.719
bonds (distance) P-C4' energy: -89.264
flat angles C4'-P-C4' energy: -93.751
flat angles P-C4'-P energy: -49.330
tors. eta vs tors. theta energy: -108.415
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: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -1298.965039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.965039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.965039 (E_RNA)
where:
Base-Base interactions energy: -893.391
where: short stacking energy: -370.546
Base-Backbone interact. energy: -1.720
local terms energy: -403.853639
where:
bonds (distance) C4'-P energy: -75.017
bonds (distance) P-C4' energy: -92.358
flat angles C4'-P-C4' energy: -94.957
flat angles P-C4'-P energy: -55.468
tors. eta vs tors. theta energy: -86.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -1160.270862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.270862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.270862 (E_RNA)
where:
Base-Base interactions energy: -808.761
where: short stacking energy: -330.026
Base-Backbone interact. energy: -0.535
local terms energy: -350.974575
where:
bonds (distance) C4'-P energy: -77.835
bonds (distance) P-C4' energy: -88.455
flat angles C4'-P-C4' energy: -71.555
flat angles P-C4'-P energy: -48.447
tors. eta vs tors. theta energy: -64.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -731.651456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.651456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.651456 (E_RNA)
where:
Base-Base interactions energy: -439.848
where: short stacking energy: -241.906
Base-Backbone interact. energy: -1.327
local terms energy: -290.476644
where:
bonds (distance) C4'-P energy: -87.313
bonds (distance) P-C4' energy: -68.519
flat angles C4'-P-C4' energy: -65.681
flat angles P-C4'-P energy: -43.181
tors. eta vs tors. theta energy: -25.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -1953.617968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.617968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.617968 (E_RNA)
where:
Base-Base interactions energy: -1395.037
where: short stacking energy: -567.528
Base-Backbone interact. energy: -0.443
local terms energy: -558.137720
where:
bonds (distance) C4'-P energy: -97.330
bonds (distance) P-C4' energy: -102.947
flat angles C4'-P-C4' energy: -120.727
flat angles P-C4'-P energy: -87.619
tors. eta vs tors. theta energy: -149.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -1865.260294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1865.260294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1865.260294 (E_RNA)
where:
Base-Base interactions energy: -1300.144
where: short stacking energy: -547.812
Base-Backbone interact. energy: -2.819
local terms energy: -562.296965
where:
bonds (distance) C4'-P energy: -104.426
bonds (distance) P-C4' energy: -104.531
flat angles C4'-P-C4' energy: -117.000
flat angles P-C4'-P energy: -75.859
tors. eta vs tors. theta energy: -160.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -1866.875697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.875697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.875697 (E_RNA)
where:
Base-Base interactions energy: -1340.409
where: short stacking energy: -523.522
Base-Backbone interact. energy: 3.000
local terms energy: -529.466766
where:
bonds (distance) C4'-P energy: -92.419
bonds (distance) P-C4' energy: -87.837
flat angles C4'-P-C4' energy: -119.699
flat angles P-C4'-P energy: -78.644
tors. eta vs tors. theta energy: -150.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -1756.485212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.485212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.485212 (E_RNA)
where:
Base-Base interactions energy: -1222.184
where: short stacking energy: -510.738
Base-Backbone interact. energy: -1.654
local terms energy: -532.647011
where:
bonds (distance) C4'-P energy: -104.932
bonds (distance) P-C4' energy: -95.343
flat angles C4'-P-C4' energy: -108.769
flat angles P-C4'-P energy: -84.280
tors. eta vs tors. theta energy: -139.323
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: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -1633.321570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.321570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.321570 (E_RNA)
where:
Base-Base interactions energy: -1150.198
where: short stacking energy: -466.741
Base-Backbone interact. energy: -1.521
local terms energy: -481.602501
where:
bonds (distance) C4'-P energy: -84.961
bonds (distance) P-C4' energy: -86.157
flat angles C4'-P-C4' energy: -110.462
flat angles P-C4'-P energy: -73.145
tors. eta vs tors. theta energy: -126.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -1474.698858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1474.698858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1474.698858 (E_RNA)
where:
Base-Base interactions energy: -1012.047
where: short stacking energy: -437.483
Base-Backbone interact. energy: -2.183
local terms energy: -460.469514
where:
bonds (distance) C4'-P energy: -80.503
bonds (distance) P-C4' energy: -86.345
flat angles C4'-P-C4' energy: -109.808
flat angles P-C4'-P energy: -68.331
tors. eta vs tors. theta energy: -115.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -1396.791075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1396.791075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1396.791075 (E_RNA)
where:
Base-Base interactions energy: -974.633
where: short stacking energy: -411.517
Base-Backbone interact. energy: 0.280
local terms energy: -422.438362
where:
bonds (distance) C4'-P energy: -83.669
bonds (distance) P-C4' energy: -79.736
flat angles C4'-P-C4' energy: -100.211
flat angles P-C4'-P energy: -69.181
tors. eta vs tors. theta energy: -89.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -1338.220607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1338.220607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1338.220607 (E_RNA)
where:
Base-Base interactions energy: -957.830
where: short stacking energy: -367.944
Base-Backbone interact. energy: 6.971
local terms energy: -387.361862
where:
bonds (distance) C4'-P energy: -76.438
bonds (distance) P-C4' energy: -88.630
flat angles C4'-P-C4' energy: -95.981
flat angles P-C4'-P energy: -52.583
tors. eta vs tors. theta energy: -73.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -1135.976287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.976287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.976287 (E_RNA)
where:
Base-Base interactions energy: -758.600
where: short stacking energy: -329.749
Base-Backbone interact. energy: 0.315
local terms energy: -377.691083
where:
bonds (distance) C4'-P energy: -76.803
bonds (distance) P-C4' energy: -95.918
flat angles C4'-P-C4' energy: -85.551
flat angles P-C4'-P energy: -52.958
tors. eta vs tors. theta energy: -66.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -719.489245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -719.489245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -719.489245 (E_RNA)
where:
Base-Base interactions energy: -406.784
where: short stacking energy: -199.565
Base-Backbone interact. energy: -0.179
local terms energy: -312.526121
where:
bonds (distance) C4'-P energy: -83.695
bonds (distance) P-C4' energy: -79.491
flat angles C4'-P-C4' energy: -78.588
flat angles P-C4'-P energy: -47.344
tors. eta vs tors. theta energy: -23.408
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: 287
Temperature: 0.900000
Total energy: -1953.516573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.516573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.516573 (E_RNA)
where:
Base-Base interactions energy: -1394.573
where: short stacking energy: -567.578
Base-Backbone interact. energy: 2.259
local terms energy: -561.202346
where:
bonds (distance) C4'-P energy: -92.511
bonds (distance) P-C4' energy: -106.916
flat angles C4'-P-C4' energy: -127.401
flat angles P-C4'-P energy: -76.979
tors. eta vs tors. theta energy: -157.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -1850.207898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.207898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.207898 (E_RNA)
where:
Base-Base interactions energy: -1292.994
where: short stacking energy: -536.967
Base-Backbone interact. energy: -1.714
local terms energy: -555.499499
where:
bonds (distance) C4'-P energy: -99.040
bonds (distance) P-C4' energy: -104.621
flat angles C4'-P-C4' energy: -117.488
flat angles P-C4'-P energy: -81.432
tors. eta vs tors. theta energy: -152.919
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: 287
Temperature: 1.000000
Total energy: -1872.794428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.794428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.794428 (E_RNA)
where:
Base-Base interactions energy: -1352.346
where: short stacking energy: -533.001
Base-Backbone interact. energy: -4.134
local terms energy: -516.314132
where:
bonds (distance) C4'-P energy: -95.380
bonds (distance) P-C4' energy: -99.312
flat angles C4'-P-C4' energy: -103.181
flat angles P-C4'-P energy: -74.365
tors. eta vs tors. theta energy: -144.077
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: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -1689.614553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.614553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.614553 (E_RNA)
where:
Base-Base interactions energy: -1207.785
where: short stacking energy: -476.998
Base-Backbone interact. energy: 1.907
local terms energy: -483.735763
where:
bonds (distance) C4'-P energy: -85.203
bonds (distance) P-C4' energy: -103.938
flat angles C4'-P-C4' energy: -107.716
flat angles P-C4'-P energy: -69.292
tors. eta vs tors. theta energy: -117.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -1740.618714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.618714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.618714 (E_RNA)
where:
Base-Base interactions energy: -1234.969
where: short stacking energy: -504.371
Base-Backbone interact. energy: -2.457
local terms energy: -503.193012
where:
bonds (distance) C4'-P energy: -90.895
bonds (distance) P-C4' energy: -103.472
flat angles C4'-P-C4' energy: -111.207
flat angles P-C4'-P energy: -67.634
tors. eta vs tors. theta energy: -129.984
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: 9
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -1540.508353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.508353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.508353 (E_RNA)
where:
Base-Base interactions energy: -1067.209
where: short stacking energy: -456.364
Base-Backbone interact. energy: -2.511
local terms energy: -470.788277
where:
bonds (distance) C4'-P energy: -81.879
bonds (distance) P-C4' energy: -94.198
flat angles C4'-P-C4' energy: -101.863
flat angles P-C4'-P energy: -58.780
tors. eta vs tors. theta energy: -134.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -1433.037367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.037367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.037367 (E_RNA)
where:
Base-Base interactions energy: -1017.463
where: short stacking energy: -434.459
Base-Backbone interact. energy: -3.002
local terms energy: -412.572538
where:
bonds (distance) C4'-P energy: -82.728
bonds (distance) P-C4' energy: -79.988
flat angles C4'-P-C4' energy: -95.774
flat angles P-C4'-P energy: -58.387
tors. eta vs tors. theta energy: -95.696
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: 5
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -1302.581890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.581890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.581890 (E_RNA)
where:
Base-Base interactions energy: -926.339
where: short stacking energy: -382.684
Base-Backbone interact. energy: -1.849
local terms energy: -374.394695
where:
bonds (distance) C4'-P energy: -71.162
bonds (distance) P-C4' energy: -79.903
flat angles C4'-P-C4' energy: -84.458
flat angles P-C4'-P energy: -63.620
tors. eta vs tors. theta energy: -75.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -1160.023634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.023634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.023634 (E_RNA)
where:
Base-Base interactions energy: -746.268
where: short stacking energy: -324.577
Base-Backbone interact. energy: -1.725
local terms energy: -412.031103
where:
bonds (distance) C4'-P energy: -108.149
bonds (distance) P-C4' energy: -93.471
flat angles C4'-P-C4' energy: -86.234
flat angles P-C4'-P energy: -62.712
tors. eta vs tors. theta energy: -61.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -746.181779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.181779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.181779 (E_RNA)
where:
Base-Base interactions energy: -422.621
where: short stacking energy: -210.499
Base-Backbone interact. energy: -1.362
local terms energy: -322.199471
where:
bonds (distance) C4'-P energy: -75.720
bonds (distance) P-C4' energy: -86.546
flat angles C4'-P-C4' energy: -83.151
flat angles P-C4'-P energy: -53.615
tors. eta vs tors. theta energy: -23.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -1935.012969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.012969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.012969 (E_RNA)
where:
Base-Base interactions energy: -1388.908
where: short stacking energy: -544.768
Base-Backbone interact. energy: 0.280
local terms energy: -546.384516
where:
bonds (distance) C4'-P energy: -97.108
bonds (distance) P-C4' energy: -99.701
flat angles C4'-P-C4' energy: -115.605
flat angles P-C4'-P energy: -88.516
tors. eta vs tors. theta energy: -145.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -1820.305906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.305906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.305906 (E_RNA)
where:
Base-Base interactions energy: -1277.391
where: short stacking energy: -518.824
Base-Backbone interact. energy: -1.791
local terms energy: -541.123667
where:
bonds (distance) C4'-P energy: -91.880
bonds (distance) P-C4' energy: -112.560
flat angles C4'-P-C4' energy: -125.025
flat angles P-C4'-P energy: -75.833
tors. eta vs tors. theta energy: -135.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -1870.351912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.351912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.351912 (E_RNA)
where:
Base-Base interactions energy: -1332.260
where: short stacking energy: -541.167
Base-Backbone interact. energy: -1.409
local terms energy: -536.682601
where:
bonds (distance) C4'-P energy: -102.208
bonds (distance) P-C4' energy: -97.817
flat angles C4'-P-C4' energy: -120.505
flat angles P-C4'-P energy: -62.425
tors. eta vs tors. theta energy: -153.727
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: 4, replica: 3
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -1700.334474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.334474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.334474 (E_RNA)
where:
Base-Base interactions energy: -1209.504
where: short stacking energy: -478.841
Base-Backbone interact. energy: 1.370
local terms energy: -492.200293
where:
bonds (distance) C4'-P energy: -98.073
bonds (distance) P-C4' energy: -91.104
flat angles C4'-P-C4' energy: -99.876
flat angles P-C4'-P energy: -67.509
tors. eta vs tors. theta energy: -135.639
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: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -1723.520534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.520534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.520534 (E_RNA)
where:
Base-Base interactions energy: -1227.489
where: short stacking energy: -471.020
Base-Backbone interact. energy: -2.197
local terms energy: -493.834156
where:
bonds (distance) C4'-P energy: -82.040
bonds (distance) P-C4' energy: -93.878
flat angles C4'-P-C4' energy: -112.289
flat angles P-C4'-P energy: -67.966
tors. eta vs tors. theta energy: -137.662
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: 9
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -1541.896974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.896974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.896974 (E_RNA)
where:
Base-Base interactions energy: -1055.847
where: short stacking energy: -442.497
Base-Backbone interact. energy: -1.016
local terms energy: -485.034354
where:
bonds (distance) C4'-P energy: -87.794
bonds (distance) P-C4' energy: -106.932
flat angles C4'-P-C4' energy: -98.763
flat angles P-C4'-P energy: -70.269
tors. eta vs tors. theta energy: -121.276
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: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -1427.593642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.593642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.593642 (E_RNA)
where:
Base-Base interactions energy: -994.491
where: short stacking energy: -388.831
Base-Backbone interact. energy: 4.224
local terms energy: -437.327496
where:
bonds (distance) C4'-P energy: -87.441
bonds (distance) P-C4' energy: -86.981
flat angles C4'-P-C4' energy: -93.957
flat angles P-C4'-P energy: -61.569
tors. eta vs tors. theta energy: -107.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -1298.114764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.114764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.114764 (E_RNA)
where:
Base-Base interactions energy: -882.371
where: short stacking energy: -391.891
Base-Backbone interact. energy: -1.766
local terms energy: -413.978108
where:
bonds (distance) C4'-P energy: -85.870
bonds (distance) P-C4' energy: -84.555
flat angles C4'-P-C4' energy: -100.512
flat angles P-C4'-P energy: -60.633
tors. eta vs tors. theta energy: -82.407
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: 6
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -1134.094920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1134.094920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1134.094920 (E_RNA)
where:
Base-Base interactions energy: -749.186
where: short stacking energy: -312.791
Base-Backbone interact. energy: -0.888
local terms energy: -384.020790
where:
bonds (distance) C4'-P energy: -77.719
bonds (distance) P-C4' energy: -101.860
flat angles C4'-P-C4' energy: -89.128
flat angles P-C4'-P energy: -49.987
tors. eta vs tors. theta energy: -65.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -741.485238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.485238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.485238 (E_RNA)
where:
Base-Base interactions energy: -429.475
where: short stacking energy: -203.279
Base-Backbone interact. energy: -1.365
local terms energy: -310.645363
where:
bonds (distance) C4'-P energy: -86.636
bonds (distance) P-C4' energy: -76.067
flat angles C4'-P-C4' energy: -83.404
flat angles P-C4'-P energy: -50.840
tors. eta vs tors. theta energy: -13.699
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: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -1967.016357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1967.016357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1967.016357 (E_RNA)
where:
Base-Base interactions energy: -1399.519
where: short stacking energy: -573.232
Base-Backbone interact. energy: -1.025
local terms energy: -566.471507
where:
bonds (distance) C4'-P energy: -104.132
bonds (distance) P-C4' energy: -104.732
flat angles C4'-P-C4' energy: -123.713
flat angles P-C4'-P energy: -77.559
tors. eta vs tors. theta energy: -156.337
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: 1
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -1914.101571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.101571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.101571 (E_RNA)
where:
Base-Base interactions energy: -1355.779
where: short stacking energy: -536.113
Base-Backbone interact. energy: 1.173
local terms energy: -559.495209
where:
bonds (distance) C4'-P energy: -103.321
bonds (distance) P-C4' energy: -98.550
flat angles C4'-P-C4' energy: -120.352
flat angles P-C4'-P energy: -79.895
tors. eta vs tors. theta energy: -157.378
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: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -1782.051020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.051020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.051020 (E_RNA)
where:
Base-Base interactions energy: -1270.019
where: short stacking energy: -513.391
Base-Backbone interact. energy: -1.402
local terms energy: -510.630326
where:
bonds (distance) C4'-P energy: -99.811
bonds (distance) P-C4' energy: -91.925
flat angles C4'-P-C4' energy: -108.925
flat angles P-C4'-P energy: -84.324
tors. eta vs tors. theta energy: -125.645
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: 289
Temperature: 1.050000
Total energy: -1798.225174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.225174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.225174 (E_RNA)
where:
Base-Base interactions energy: -1279.597
where: short stacking energy: -515.000
Base-Backbone interact. energy: 3.642
local terms energy: -522.270065
where:
bonds (distance) C4'-P energy: -90.919
bonds (distance) P-C4' energy: -106.924
flat angles C4'-P-C4' energy: -109.762
flat angles P-C4'-P energy: -80.855
tors. eta vs tors. theta energy: -133.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -1645.622623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.622623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.622623 (E_RNA)
where:
Base-Base interactions energy: -1165.542
where: short stacking energy: -476.191
Base-Backbone interact. energy: -3.155
local terms energy: -476.925340
where:
bonds (distance) C4'-P energy: -88.830
bonds (distance) P-C4' energy: -95.452
flat angles C4'-P-C4' energy: -103.068
flat angles P-C4'-P energy: -64.043
tors. eta vs tors. theta energy: -125.532
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: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -1479.097589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1479.097589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1479.097589 (E_RNA)
where:
Base-Base interactions energy: -1023.991
where: short stacking energy: -447.889
Base-Backbone interact. energy: 0.737
local terms energy: -455.843506
where:
bonds (distance) C4'-P energy: -84.059
bonds (distance) P-C4' energy: -85.926
flat angles C4'-P-C4' energy: -101.694
flat angles P-C4'-P energy: -65.300
tors. eta vs tors. theta energy: -118.864
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: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -1380.183509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.183509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.183509 (E_RNA)
where:
Base-Base interactions energy: -943.154
where: short stacking energy: -401.930
Base-Backbone interact. energy: -1.481
local terms energy: -435.547842
where:
bonds (distance) C4'-P energy: -92.033
bonds (distance) P-C4' energy: -77.547
flat angles C4'-P-C4' energy: -97.980
flat angles P-C4'-P energy: -66.760
tors. eta vs tors. theta energy: -101.227
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: 5
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -1317.720827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.720827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.720827 (E_RNA)
where:
Base-Base interactions energy: -932.075
where: short stacking energy: -405.257
Base-Backbone interact. energy: 4.553
local terms energy: -390.199123
where:
bonds (distance) C4'-P energy: -64.231
bonds (distance) P-C4' energy: -85.352
flat angles C4'-P-C4' energy: -97.452
flat angles P-C4'-P energy: -49.069
tors. eta vs tors. theta energy: -94.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -1137.396845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.396845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.396845 (E_RNA)
where:
Base-Base interactions energy: -731.758
where: short stacking energy: -312.014
Base-Backbone interact. energy: -1.306
local terms energy: -404.332824
where:
bonds (distance) C4'-P energy: -84.894
bonds (distance) P-C4' energy: -97.175
flat angles C4'-P-C4' energy: -88.802
flat angles P-C4'-P energy: -63.491
tors. eta vs tors. theta energy: -69.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -732.833569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.833569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.833569 (E_RNA)
where:
Base-Base interactions energy: -440.888
where: short stacking energy: -236.349
Base-Backbone interact. energy: -2.124
local terms energy: -289.821451
where:
bonds (distance) C4'-P energy: -68.271
bonds (distance) P-C4' energy: -86.338
flat angles C4'-P-C4' energy: -66.479
flat angles P-C4'-P energy: -48.002
tors. eta vs tors. theta energy: -20.732
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: 1, replica: 2
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -1981.198169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.198169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.198169 (E_RNA)
where:
Base-Base interactions energy: -1423.026
where: short stacking energy: -564.859
Base-Backbone interact. energy: -4.287
local terms energy: -553.884871
where:
bonds (distance) C4'-P energy: -99.368
bonds (distance) P-C4' energy: -105.478
flat angles C4'-P-C4' energy: -122.628
flat angles P-C4'-P energy: -69.853
tors. eta vs tors. theta energy: -156.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -1931.593386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.593386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.593386 (E_RNA)
where:
Base-Base interactions energy: -1370.569
where: short stacking energy: -555.240
Base-Backbone interact. energy: 3.972
local terms energy: -564.996179
where:
bonds (distance) C4'-P energy: -99.856
bonds (distance) P-C4' energy: -109.881
flat angles C4'-P-C4' energy: -122.854
flat angles P-C4'-P energy: -80.312
tors. eta vs tors. theta energy: -152.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -1788.659132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.659132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.659132 (E_RNA)
where:
Base-Base interactions energy: -1240.747
where: short stacking energy: -535.122
Base-Backbone interact. energy: -2.186
local terms energy: -545.726459
where:
bonds (distance) C4'-P energy: -98.752
bonds (distance) P-C4' energy: -108.550
flat angles C4'-P-C4' energy: -113.753
flat angles P-C4'-P energy: -83.991
tors. eta vs tors. theta energy: -140.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -1779.917771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.917771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.917771 (E_RNA)
where:
Base-Base interactions energy: -1236.283
where: short stacking energy: -524.516
Base-Backbone interact. energy: -2.498
local terms energy: -541.136427
where:
bonds (distance) C4'-P energy: -93.552
bonds (distance) P-C4' energy: -104.937
flat angles C4'-P-C4' energy: -115.082
flat angles P-C4'-P energy: -75.800
tors. eta vs tors. theta energy: -151.765
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: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -1671.376875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.376875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.376875 (E_RNA)
where:
Base-Base interactions energy: -1194.988
where: short stacking energy: -487.250
Base-Backbone interact. energy: 1.867
local terms energy: -478.256024
where:
bonds (distance) C4'-P energy: -85.750
bonds (distance) P-C4' energy: -81.700
flat angles C4'-P-C4' energy: -97.888
flat angles P-C4'-P energy: -86.050
tors. eta vs tors. theta energy: -126.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -1492.167899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.167899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.167899 (E_RNA)
where:
Base-Base interactions energy: -1021.018
where: short stacking energy: -417.570
Base-Backbone interact. energy: -3.671
local terms energy: -467.478179
where:
bonds (distance) C4'-P energy: -92.789
bonds (distance) P-C4' energy: -85.320
flat angles C4'-P-C4' energy: -100.829
flat angles P-C4'-P energy: -73.652
tors. eta vs tors. theta energy: -114.888
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: 7, replica: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -1427.255372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.255372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.255372 (E_RNA)
where:
Base-Base interactions energy: -982.915
where: short stacking energy: -417.173
Base-Backbone interact. energy: -2.344
local terms energy: -441.995762
where:
bonds (distance) C4'-P energy: -85.936
bonds (distance) P-C4' energy: -82.871
flat angles C4'-P-C4' energy: -104.385
flat angles P-C4'-P energy: -64.233
tors. eta vs tors. theta energy: -104.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -1275.503625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1275.503625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1275.503625 (E_RNA)
where:
Base-Base interactions energy: -891.143
where: short stacking energy: -370.739
Base-Backbone interact. energy: 0.730
local terms energy: -385.090415
where:
bonds (distance) C4'-P energy: -81.899
bonds (distance) P-C4' energy: -77.457
flat angles C4'-P-C4' energy: -69.151
flat angles P-C4'-P energy: -61.587
tors. eta vs tors. theta energy: -94.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -1124.551145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1124.551145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1124.551145 (E_RNA)
where:
Base-Base interactions energy: -753.797
where: short stacking energy: -319.633
Base-Backbone interact. energy: -2.521
local terms energy: -368.233962
where:
bonds (distance) C4'-P energy: -80.984
bonds (distance) P-C4' energy: -88.651
flat angles C4'-P-C4' energy: -88.185
flat angles P-C4'-P energy: -59.717
tors. eta vs tors. theta energy: -50.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -727.920774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -727.920774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -727.920774 (E_RNA)
where:
Base-Base interactions energy: -441.831
where: short stacking energy: -186.637
Base-Backbone interact. energy: -2.964
local terms energy: -283.125084
where:
bonds (distance) C4'-P energy: -86.664
bonds (distance) P-C4' energy: -71.947
flat angles C4'-P-C4' energy: -74.301
flat angles P-C4'-P energy: -41.739
tors. eta vs tors. theta energy: -8.474
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: 1, replica: 2
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -1952.999674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.999674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.999674 (E_RNA)
where:
Base-Base interactions energy: -1409.490
where: short stacking energy: -556.795
Base-Backbone interact. energy: -2.109
local terms energy: -541.400578
where:
bonds (distance) C4'-P energy: -99.382
bonds (distance) P-C4' energy: -95.551
flat angles C4'-P-C4' energy: -120.711
flat angles P-C4'-P energy: -77.458
tors. eta vs tors. theta energy: -148.298
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: 2, replica: 1
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -1899.422808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.422808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.422808 (E_RNA)
where:
Base-Base interactions energy: -1348.421
where: short stacking energy: -514.321
Base-Backbone interact. energy: 1.446
local terms energy: -552.447836
where:
bonds (distance) C4'-P energy: -98.099
bonds (distance) P-C4' energy: -103.858
flat angles C4'-P-C4' energy: -117.324
flat angles P-C4'-P energy: -78.986
tors. eta vs tors. theta energy: -154.180
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: 8
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -1781.929588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.929588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.929588 (E_RNA)
where:
Base-Base interactions energy: -1268.270
where: short stacking energy: -499.705
Base-Backbone interact. energy: 1.688
local terms energy: -515.347801
where:
bonds (distance) C4'-P energy: -104.482
bonds (distance) P-C4' energy: -98.911
flat angles C4'-P-C4' energy: -105.129
flat angles P-C4'-P energy: -82.422
tors. eta vs tors. theta energy: -124.404
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: 4
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -1761.139179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.139179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.139179 (E_RNA)
where:
Base-Base interactions energy: -1254.928
where: short stacking energy: -513.442
Base-Backbone interact. energy: -2.204
local terms energy: -504.006727
where:
bonds (distance) C4'-P energy: -81.192
bonds (distance) P-C4' energy: -87.272
flat angles C4'-P-C4' energy: -120.311
flat angles P-C4'-P energy: -78.045
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: 5, replica: 3
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -1689.615791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.615791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.615791 (E_RNA)
where:
Base-Base interactions energy: -1189.438
where: short stacking energy: -475.328
Base-Backbone interact. energy: -1.045
local terms energy: -499.133387
where:
bonds (distance) C4'-P energy: -86.208
bonds (distance) P-C4' energy: -86.879
flat angles C4'-P-C4' energy: -116.955
flat angles P-C4'-P energy: -75.966
tors. eta vs tors. theta energy: -133.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -1457.625672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.625672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.625672 (E_RNA)
where:
Base-Base interactions energy: -989.451
where: short stacking energy: -425.631
Base-Backbone interact. energy: -1.783
local terms energy: -466.391916
where:
bonds (distance) C4'-P energy: -80.631
bonds (distance) P-C4' energy: -97.942
flat angles C4'-P-C4' energy: -113.793
flat angles P-C4'-P energy: -73.967
tors. eta vs tors. theta energy: -100.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -1400.722371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.722371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.722371 (E_RNA)
where:
Base-Base interactions energy: -979.485
where: short stacking energy: -415.811
Base-Backbone interact. energy: -0.809
local terms energy: -420.428491
where:
bonds (distance) C4'-P energy: -91.086
bonds (distance) P-C4' energy: -72.065
flat angles C4'-P-C4' energy: -103.419
flat angles P-C4'-P energy: -51.391
tors. eta vs tors. theta energy: -102.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -1222.701257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.701257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.701257 (E_RNA)
where:
Base-Base interactions energy: -821.394
where: short stacking energy: -357.404
Base-Backbone interact. energy: -0.883
local terms energy: -400.424427
where:
bonds (distance) C4'-P energy: -70.305
bonds (distance) P-C4' energy: -102.847
flat angles C4'-P-C4' energy: -95.619
flat angles P-C4'-P energy: -56.319
tors. eta vs tors. theta energy: -75.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -1160.306549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.306549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.306549 (E_RNA)
where:
Base-Base interactions energy: -782.084
where: short stacking energy: -353.063
Base-Backbone interact. energy: 3.190
local terms energy: -381.412178
where:
bonds (distance) C4'-P energy: -72.419
bonds (distance) P-C4' energy: -91.970
flat angles C4'-P-C4' energy: -85.652
flat angles P-C4'-P energy: -66.208
tors. eta vs tors. theta energy: -65.163
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: 10, replica: 10
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -732.429100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.429100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.429100 (E_RNA)
where:
Base-Base interactions energy: -441.904
where: short stacking energy: -189.026
Base-Backbone interact. energy: -3.244
local terms energy: -287.280381
where:
bonds (distance) C4'-P energy: -79.789
bonds (distance) P-C4' energy: -71.240
flat angles C4'-P-C4' energy: -81.903
flat angles P-C4'-P energy: -40.616
tors. eta vs tors. theta energy: -13.733
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: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -1973.711632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.711632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.711632 (E_RNA)
where:
Base-Base interactions energy: -1435.932
where: short stacking energy: -579.554
Base-Backbone interact. energy: -0.809
local terms energy: -536.969920
where:
bonds (distance) C4'-P energy: -94.639
bonds (distance) P-C4' energy: -105.850
flat angles C4'-P-C4' energy: -112.145
flat angles P-C4'-P energy: -72.347
tors. eta vs tors. theta energy: -151.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -1890.604627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.604627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.604627 (E_RNA)
where:
Base-Base interactions energy: -1340.341
where: short stacking energy: -524.765
Base-Backbone interact. energy: -1.392
local terms energy: -548.871659
where:
bonds (distance) C4'-P energy: -93.019
bonds (distance) P-C4' energy: -95.603
flat angles C4'-P-C4' energy: -112.710
flat angles P-C4'-P energy: -83.475
tors. eta vs tors. theta energy: -164.065
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: 3, replica: 4
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -1817.198193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1817.198193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1817.198193 (E_RNA)
where:
Base-Base interactions energy: -1288.371
where: short stacking energy: -511.168
Base-Backbone interact. energy: 8.522
local terms energy: -537.348387
where:
bonds (distance) C4'-P energy: -96.627
bonds (distance) P-C4' energy: -92.950
flat angles C4'-P-C4' energy: -120.355
flat angles P-C4'-P energy: -74.663
tors. eta vs tors. theta energy: -152.753
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: 8
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -1722.429353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.429353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.429353 (E_RNA)
where:
Base-Base interactions energy: -1231.311
where: short stacking energy: -499.773
Base-Backbone interact. energy: -1.249
local terms energy: -489.868847
where:
bonds (distance) C4'-P energy: -75.173
bonds (distance) P-C4' energy: -92.649
flat angles C4'-P-C4' energy: -111.629
flat angles P-C4'-P energy: -81.478
tors. eta vs tors. theta energy: -128.940
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: 3
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -1689.534754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.534754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.534754 (E_RNA)
where:
Base-Base interactions energy: -1198.567
where: short stacking energy: -484.321
Base-Backbone interact. energy: -0.392
local terms energy: -490.575116
where:
bonds (distance) C4'-P energy: -93.837
bonds (distance) P-C4' energy: -90.038
flat angles C4'-P-C4' energy: -109.969
flat angles P-C4'-P energy: -72.376
tors. eta vs tors. theta energy: -124.355
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: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -1461.999545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.999545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.999545 (E_RNA)
where:
Base-Base interactions energy: -990.580
where: short stacking energy: -431.214
Base-Backbone interact. energy: -1.018
local terms energy: -470.402089
where:
bonds (distance) C4'-P energy: -95.596
bonds (distance) P-C4' energy: -99.759
flat angles C4'-P-C4' energy: -100.983
flat angles P-C4'-P energy: -65.664
tors. eta vs tors. theta energy: -108.401
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: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -1416.987293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1416.987293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1416.987293 (E_RNA)
where:
Base-Base interactions energy: -978.995
where: short stacking energy: -415.728
Base-Backbone interact. energy: 4.179
local terms energy: -442.170871
where:
bonds (distance) C4'-P energy: -86.854
bonds (distance) P-C4' energy: -93.107
flat angles C4'-P-C4' energy: -102.677
flat angles P-C4'-P energy: -49.579
tors. eta vs tors. theta energy: -109.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -1241.297759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.297759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.297759 (E_RNA)
where:
Base-Base interactions energy: -833.312
where: short stacking energy: -344.216
Base-Backbone interact. energy: -0.876
local terms energy: -407.109341
where:
bonds (distance) C4'-P energy: -86.870
bonds (distance) P-C4' energy: -97.176
flat angles C4'-P-C4' energy: -100.477
flat angles P-C4'-P energy: -48.980
tors. eta vs tors. theta energy: -73.607
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: 9, replica: 6
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -1144.507294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.507294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.507294 (E_RNA)
where:
Base-Base interactions energy: -772.951
where: short stacking energy: -327.345
Base-Backbone interact. energy: -2.131
local terms energy: -369.424785
where:
bonds (distance) C4'-P energy: -83.920
bonds (distance) P-C4' energy: -94.726
flat angles C4'-P-C4' energy: -88.243
flat angles P-C4'-P energy: -33.510
tors. eta vs tors. theta energy: -69.026
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: 10
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -694.991434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -694.991434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -694.991434 (E_RNA)
where:
Base-Base interactions energy: -392.236
where: short stacking energy: -202.077
Base-Backbone interact. energy: 1.398
local terms energy: -304.153300
where:
bonds (distance) C4'-P energy: -83.275
bonds (distance) P-C4' energy: -88.200
flat angles C4'-P-C4' energy: -76.208
flat angles P-C4'-P energy: -41.970
tors. eta vs tors. theta energy: -14.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -1990.067165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1990.067165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1990.067165 (E_RNA)
where:
Base-Base interactions energy: -1424.581
where: short stacking energy: -569.403
Base-Backbone interact. energy: 0.777
local terms energy: -566.263256
where:
bonds (distance) C4'-P energy: -104.209
bonds (distance) P-C4' energy: -99.820
flat angles C4'-P-C4' energy: -125.427
flat angles P-C4'-P energy: -86.338
tors. eta vs tors. theta energy: -150.469
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: 1
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -1915.941074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.941074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.941074 (E_RNA)
where:
Base-Base interactions energy: -1370.170
where: short stacking energy: -544.911
Base-Backbone interact. energy: 0.430
local terms energy: -546.201084
where:
bonds (distance) C4'-P energy: -89.381
bonds (distance) P-C4' energy: -102.777
flat angles C4'-P-C4' energy: -115.856
flat angles P-C4'-P energy: -83.627
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: 3, replica: 4
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -1799.596180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.596180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.596180 (E_RNA)
where:
Base-Base interactions energy: -1269.460
where: short stacking energy: -528.812
Base-Backbone interact. energy: -3.378
local terms energy: -526.758642
where:
bonds (distance) C4'-P energy: -88.677
bonds (distance) P-C4' energy: -97.612
flat angles C4'-P-C4' energy: -106.678
flat angles P-C4'-P energy: -83.055
tors. eta vs tors. theta energy: -150.737
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: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -1746.678047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.678047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.678047 (E_RNA)
where:
Base-Base interactions energy: -1254.453
where: short stacking energy: -487.391
Base-Backbone interact. energy: -3.585
local terms energy: -488.640713
where:
bonds (distance) C4'-P energy: -94.369
bonds (distance) P-C4' energy: -92.735
flat angles C4'-P-C4' energy: -94.754
flat angles P-C4'-P energy: -74.282
tors. eta vs tors. theta energy: -132.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -1628.830755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.830755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.830755 (E_RNA)
where:
Base-Base interactions energy: -1159.381
where: short stacking energy: -455.306
Base-Backbone interact. energy: -0.872
local terms energy: -468.577945
where:
bonds (distance) C4'-P energy: -95.204
bonds (distance) P-C4' energy: -88.296
flat angles C4'-P-C4' energy: -111.718
flat angles P-C4'-P energy: -56.765
tors. eta vs tors. theta energy: -116.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -1410.600000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.600000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.600000 (E_RNA)
where:
Base-Base interactions energy: -986.143
where: short stacking energy: -404.029
Base-Backbone interact. energy: -3.572
local terms energy: -420.884521
where:
bonds (distance) C4'-P energy: -80.267
bonds (distance) P-C4' energy: -83.618
flat angles C4'-P-C4' energy: -94.379
flat angles P-C4'-P energy: -60.835
tors. eta vs tors. theta energy: -101.785
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: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -1355.511032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1355.511032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1355.511032 (E_RNA)
where:
Base-Base interactions energy: -913.629
where: short stacking energy: -394.909
Base-Backbone interact. energy: -0.204
local terms energy: -441.677852
where:
bonds (distance) C4'-P energy: -96.551
bonds (distance) P-C4' energy: -79.139
flat angles C4'-P-C4' energy: -89.419
flat angles P-C4'-P energy: -69.399
tors. eta vs tors. theta energy: -107.169
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: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -1249.675881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.675881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.675881 (E_RNA)
where:
Base-Base interactions energy: -830.666
where: short stacking energy: -355.193
Base-Backbone interact. energy: -1.415
local terms energy: -417.594931
where:
bonds (distance) C4'-P energy: -80.254
bonds (distance) P-C4' energy: -94.473
flat angles C4'-P-C4' energy: -94.825
flat angles P-C4'-P energy: -60.931
tors. eta vs tors. theta energy: -87.113
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: 6
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -1126.355299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.355299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.355299 (E_RNA)
where:
Base-Base interactions energy: -754.334
where: short stacking energy: -310.474
Base-Backbone interact. energy: 4.192
local terms energy: -376.213727
where:
bonds (distance) C4'-P energy: -75.398
bonds (distance) P-C4' energy: -92.997
flat angles C4'-P-C4' energy: -84.858
flat angles P-C4'-P energy: -68.309
tors. eta vs tors. theta energy: -54.652
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: 10
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -756.151360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -756.151360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -756.151360 (E_RNA)
where:
Base-Base interactions energy: -428.956
where: short stacking energy: -222.185
Base-Backbone interact. energy: -0.895
local terms energy: -326.300676
where:
bonds (distance) C4'-P energy: -91.053
bonds (distance) P-C4' energy: -84.346
flat angles C4'-P-C4' energy: -76.447
flat angles P-C4'-P energy: -53.163
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -1964.315569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.315569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.315569 (E_RNA)
where:
Base-Base interactions energy: -1403.571
where: short stacking energy: -566.835
Base-Backbone interact. energy: -3.474
local terms energy: -557.270665
where:
bonds (distance) C4'-P energy: -99.981
bonds (distance) P-C4' energy: -104.903
flat angles C4'-P-C4' energy: -115.422
flat angles P-C4'-P energy: -84.768
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: 2, replica: 1
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -1916.891411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.891411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.891411 (E_RNA)
where:
Base-Base interactions energy: -1370.319
where: short stacking energy: -531.485
Base-Backbone interact. energy: -3.155
local terms energy: -543.417809
where:
bonds (distance) C4'-P energy: -96.143
bonds (distance) P-C4' energy: -100.915
flat angles C4'-P-C4' energy: -118.923
flat angles P-C4'-P energy: -72.585
tors. eta vs tors. theta energy: -154.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -1804.398100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.398100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.398100 (E_RNA)
where:
Base-Base interactions energy: -1293.166
where: short stacking energy: -524.544
Base-Backbone interact. energy: -0.217
local terms energy: -511.015166
where:
bonds (distance) C4'-P energy: -86.244
bonds (distance) P-C4' energy: -94.635
flat angles C4'-P-C4' energy: -112.795
flat angles P-C4'-P energy: -76.743
tors. eta vs tors. theta energy: -140.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -1736.992282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.992282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.992282 (E_RNA)
where:
Base-Base interactions energy: -1226.096
where: short stacking energy: -509.596
Base-Backbone interact. energy: 0.358
local terms energy: -511.254035
where:
bonds (distance) C4'-P energy: -92.762
bonds (distance) P-C4' energy: -96.203
flat angles C4'-P-C4' energy: -106.820
flat angles P-C4'-P energy: -75.071
tors. eta vs tors. theta energy: -140.398
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: 294
Temperature: 1.100000
Total energy: -1629.548979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.548979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.548979 (E_RNA)
where:
Base-Base interactions energy: -1124.304
where: short stacking energy: -456.151
Base-Backbone interact. energy: -2.170
local terms energy: -503.075692
where:
bonds (distance) C4'-P energy: -100.064
bonds (distance) P-C4' energy: -99.687
flat angles C4'-P-C4' energy: -109.618
flat angles P-C4'-P energy: -74.359
tors. eta vs tors. theta energy: -119.348
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: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -1406.682689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1406.682689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1406.682689 (E_RNA)
where:
Base-Base interactions energy: -978.559
where: short stacking energy: -383.217
Base-Backbone interact. energy: -2.957
local terms energy: -425.165925
where:
bonds (distance) C4'-P energy: -94.494
bonds (distance) P-C4' energy: -101.408
flat angles C4'-P-C4' energy: -88.316
flat angles P-C4'-P energy: -51.278
tors. eta vs tors. theta energy: -89.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -1359.431604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.431604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.431604 (E_RNA)
where:
Base-Base interactions energy: -938.578
where: short stacking energy: -395.401
Base-Backbone interact. energy: -1.357
local terms energy: -419.496725
where:
bonds (distance) C4'-P energy: -72.176
bonds (distance) P-C4' energy: -94.791
flat angles C4'-P-C4' energy: -100.264
flat angles P-C4'-P energy: -67.176
tors. eta vs tors. theta energy: -85.090
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: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -1256.213361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.213361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.213361 (E_RNA)
where:
Base-Base interactions energy: -856.887
where: short stacking energy: -366.418
Base-Backbone interact. energy: -0.928
local terms energy: -398.398714
where:
bonds (distance) C4'-P energy: -79.949
bonds (distance) P-C4' energy: -77.163
flat angles C4'-P-C4' energy: -95.634
flat angles P-C4'-P energy: -71.397
tors. eta vs tors. theta energy: -74.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -1140.942958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.942958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.942958 (E_RNA)
where:
Base-Base interactions energy: -794.322
where: short stacking energy: -332.807
Base-Backbone interact. energy: -4.257
local terms energy: -342.363964
where:
bonds (distance) C4'-P energy: -71.501
bonds (distance) P-C4' energy: -83.754
flat angles C4'-P-C4' energy: -89.050
flat angles P-C4'-P energy: -45.282
tors. eta vs tors. theta energy: -52.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -712.407063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.407063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.407063 (E_RNA)
where:
Base-Base interactions energy: -393.618
where: short stacking energy: -212.371
Base-Backbone interact. energy: 1.226
local terms energy: -320.015195
where:
bonds (distance) C4'-P energy: -83.318
bonds (distance) P-C4' energy: -95.440
flat angles C4'-P-C4' energy: -94.997
flat angles P-C4'-P energy: -24.083
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: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -1957.634118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.634118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.634118 (E_RNA)
where:
Base-Base interactions energy: -1392.895
where: short stacking energy: -571.323
Base-Backbone interact. energy: -0.237
local terms energy: -564.501379
where:
bonds (distance) C4'-P energy: -114.679
bonds (distance) P-C4' energy: -94.418
flat angles C4'-P-C4' energy: -120.996
flat angles P-C4'-P energy: -81.769
tors. eta vs tors. theta energy: -152.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -1911.754871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.754871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.754871 (E_RNA)
where:
Base-Base interactions energy: -1384.759
where: short stacking energy: -537.037
Base-Backbone interact. energy: -2.924
local terms energy: -524.072155
where:
bonds (distance) C4'-P energy: -99.631
bonds (distance) P-C4' energy: -97.827
flat angles C4'-P-C4' energy: -107.298
flat angles P-C4'-P energy: -65.254
tors. eta vs tors. theta energy: -154.063
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: 295
Temperature: 1.000000
Total energy: -1804.566716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.566716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.566716 (E_RNA)
where:
Base-Base interactions energy: -1284.564
where: short stacking energy: -537.162
Base-Backbone interact. energy: 2.517
local terms energy: -522.519275
where:
bonds (distance) C4'-P energy: -102.015
bonds (distance) P-C4' energy: -89.764
flat angles C4'-P-C4' energy: -112.170
flat angles P-C4'-P energy: -70.799
tors. eta vs tors. theta energy: -147.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -1743.323177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.323177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.323177 (E_RNA)
where:
Base-Base interactions energy: -1247.663
where: short stacking energy: -489.117
Base-Backbone interact. energy: -4.265
local terms energy: -491.395164
where:
bonds (distance) C4'-P energy: -95.363
bonds (distance) P-C4' energy: -96.815
flat angles C4'-P-C4' energy: -107.436
flat angles P-C4'-P energy: -67.645
tors. eta vs tors. theta energy: -124.135
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: 5, replica: 3
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -1647.723658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.723658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.723658 (E_RNA)
where:
Base-Base interactions energy: -1146.404
where: short stacking energy: -451.893
Base-Backbone interact. energy: 1.135
local terms energy: -502.454871
where:
bonds (distance) C4'-P energy: -82.780
bonds (distance) P-C4' energy: -101.902
flat angles C4'-P-C4' energy: -103.247
flat angles P-C4'-P energy: -87.237
tors. eta vs tors. theta energy: -127.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -1433.134549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.134549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.134549 (E_RNA)
where:
Base-Base interactions energy: -967.474
where: short stacking energy: -417.318
Base-Backbone interact. energy: 3.237
local terms energy: -468.897377
where:
bonds (distance) C4'-P energy: -89.120
bonds (distance) P-C4' energy: -90.558
flat angles C4'-P-C4' energy: -104.934
flat angles P-C4'-P energy: -78.061
tors. eta vs tors. theta energy: -106.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -1400.200185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.200185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.200185 (E_RNA)
where:
Base-Base interactions energy: -978.726
where: short stacking energy: -401.607
Base-Backbone interact. energy: -1.091
local terms energy: -420.384052
where:
bonds (distance) C4'-P energy: -81.554
bonds (distance) P-C4' energy: -76.942
flat angles C4'-P-C4' energy: -104.459
flat angles P-C4'-P energy: -63.930
tors. eta vs tors. theta energy: -93.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -1237.389980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.389980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.389980 (E_RNA)
where:
Base-Base interactions energy: -859.182
where: short stacking energy: -349.211
Base-Backbone interact. energy: -1.975
local terms energy: -376.232516
where:
bonds (distance) C4'-P energy: -79.599
bonds (distance) P-C4' energy: -74.825
flat angles C4'-P-C4' energy: -81.932
flat angles P-C4'-P energy: -69.321
tors. eta vs tors. theta energy: -70.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -1145.671926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.671926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.671926 (E_RNA)
where:
Base-Base interactions energy: -784.237
where: short stacking energy: -323.457
Base-Backbone interact. energy: 5.057
local terms energy: -366.491284
where:
bonds (distance) C4'-P energy: -82.333
bonds (distance) P-C4' energy: -78.838
flat angles C4'-P-C4' energy: -92.748
flat angles P-C4'-P energy: -51.385
tors. eta vs tors. theta energy: -61.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -696.124447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -696.124447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -696.124447 (E_RNA)
where:
Base-Base interactions energy: -411.186
where: short stacking energy: -198.959
Base-Backbone interact. energy: 3.004
local terms energy: -287.942303
where:
bonds (distance) C4'-P energy: -82.498
bonds (distance) P-C4' energy: -84.235
flat angles C4'-P-C4' energy: -67.623
flat angles P-C4'-P energy: -39.915
tors. eta vs tors. theta energy: -13.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -1970.661975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.661975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.661975 (E_RNA)
where:
Base-Base interactions energy: -1390.201
where: short stacking energy: -574.276
Base-Backbone interact. energy: -2.354
local terms energy: -578.107636
where:
bonds (distance) C4'-P energy: -105.956
bonds (distance) P-C4' energy: -108.060
flat angles C4'-P-C4' energy: -120.054
flat angles P-C4'-P energy: -82.619
tors. eta vs tors. theta energy: -161.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -1919.740783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.740783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.740783 (E_RNA)
where:
Base-Base interactions energy: -1377.512
where: short stacking energy: -542.175
Base-Backbone interact. energy: -2.798
local terms energy: -539.430657
where:
bonds (distance) C4'-P energy: -90.986
bonds (distance) P-C4' energy: -97.090
flat angles C4'-P-C4' energy: -118.282
flat angles P-C4'-P energy: -78.885
tors. eta vs tors. theta energy: -154.187
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: 296
Temperature: 1.000000
Total energy: -1768.848785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.848785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.848785 (E_RNA)
where:
Base-Base interactions energy: -1230.834
where: short stacking energy: -488.972
Base-Backbone interact. energy: -5.346
local terms energy: -532.669529
where:
bonds (distance) C4'-P energy: -98.525
bonds (distance) P-C4' energy: -101.874
flat angles C4'-P-C4' energy: -119.442
flat angles P-C4'-P energy: -81.700
tors. eta vs tors. theta energy: -131.129
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: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -1736.653145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.653145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.653145 (E_RNA)
where:
Base-Base interactions energy: -1218.775
where: short stacking energy: -513.003
Base-Backbone interact. energy: -2.079
local terms energy: -515.799042
where:
bonds (distance) C4'-P energy: -100.063
bonds (distance) P-C4' energy: -98.335
flat angles C4'-P-C4' energy: -100.535
flat angles P-C4'-P energy: -73.155
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: 3
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -1611.330316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1611.330316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1611.330316 (E_RNA)
where:
Base-Base interactions energy: -1130.205
where: short stacking energy: -453.286
Base-Backbone interact. energy: 0.103
local terms energy: -481.228096
where:
bonds (distance) C4'-P energy: -98.548
bonds (distance) P-C4' energy: -98.051
flat angles C4'-P-C4' energy: -116.221
flat angles P-C4'-P energy: -56.747
tors. eta vs tors. theta energy: -111.662
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: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -1486.606693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.606693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.606693 (E_RNA)
where:
Base-Base interactions energy: -1020.477
where: short stacking energy: -454.441
Base-Backbone interact. energy: -1.698
local terms energy: -464.431689
where:
bonds (distance) C4'-P energy: -86.733
bonds (distance) P-C4' energy: -98.647
flat angles C4'-P-C4' energy: -100.850
flat angles P-C4'-P energy: -58.639
tors. eta vs tors. theta energy: -119.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -1368.132948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.132948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.132948 (E_RNA)
where:
Base-Base interactions energy: -973.094
where: short stacking energy: -378.885
Base-Backbone interact. energy: 0.570
local terms energy: -395.608135
where:
bonds (distance) C4'-P energy: -80.554
bonds (distance) P-C4' energy: -83.258
flat angles C4'-P-C4' energy: -82.379
flat angles P-C4'-P energy: -59.114
tors. eta vs tors. theta energy: -90.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -1214.878510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1214.878510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1214.878510 (E_RNA)
where:
Base-Base interactions energy: -829.161
where: short stacking energy: -360.021
Base-Backbone interact. energy: 0.357
local terms energy: -386.074573
where:
bonds (distance) C4'-P energy: -88.167
bonds (distance) P-C4' energy: -86.220
flat angles C4'-P-C4' energy: -78.582
flat angles P-C4'-P energy: -53.271
tors. eta vs tors. theta energy: -79.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -1156.747884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1156.747884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1156.747884 (E_RNA)
where:
Base-Base interactions energy: -779.737
where: short stacking energy: -315.994
Base-Backbone interact. energy: 5.318
local terms energy: -382.328560
where:
bonds (distance) C4'-P energy: -60.597
bonds (distance) P-C4' energy: -93.738
flat angles C4'-P-C4' energy: -99.721
flat angles P-C4'-P energy: -66.448
tors. eta vs tors. theta energy: -61.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -711.208066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.208066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.208066 (E_RNA)
where:
Base-Base interactions energy: -416.556
where: short stacking energy: -209.429
Base-Backbone interact. energy: -1.496
local terms energy: -293.156230
where:
bonds (distance) C4'-P energy: -85.852
bonds (distance) P-C4' energy: -81.640
flat angles C4'-P-C4' energy: -64.228
flat angles P-C4'-P energy: -48.968
tors. eta vs tors. theta energy: -12.469
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: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -1948.789790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.789790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.789790 (E_RNA)
where:
Base-Base interactions energy: -1389.427
where: short stacking energy: -556.524
Base-Backbone interact. energy: -2.550
local terms energy: -556.812666
where:
bonds (distance) C4'-P energy: -112.748
bonds (distance) P-C4' energy: -89.365
flat angles C4'-P-C4' energy: -123.732
flat angles P-C4'-P energy: -85.909
tors. eta vs tors. theta energy: -145.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -1909.082890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.082890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.082890 (E_RNA)
where:
Base-Base interactions energy: -1376.328
where: short stacking energy: -544.915
Base-Backbone interact. energy: 2.242
local terms energy: -534.996658
where:
bonds (distance) C4'-P energy: -99.599
bonds (distance) P-C4' energy: -100.838
flat angles C4'-P-C4' energy: -107.341
flat angles P-C4'-P energy: -80.987
tors. eta vs tors. theta energy: -146.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -1793.119225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.119225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.119225 (E_RNA)
where:
Base-Base interactions energy: -1266.648
where: short stacking energy: -493.758
Base-Backbone interact. energy: -1.150
local terms energy: -525.321435
where:
bonds (distance) C4'-P energy: -95.678
bonds (distance) P-C4' energy: -96.290
flat angles C4'-P-C4' energy: -116.571
flat angles P-C4'-P energy: -81.232
tors. eta vs tors. theta energy: -135.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -1757.166705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.166705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.166705 (E_RNA)
where:
Base-Base interactions energy: -1260.363
where: short stacking energy: -501.628
Base-Backbone interact. energy: -1.580
local terms energy: -495.223627
where:
bonds (distance) C4'-P energy: -92.848
bonds (distance) P-C4' energy: -89.054
flat angles C4'-P-C4' energy: -106.441
flat angles P-C4'-P energy: -64.096
tors. eta vs tors. theta energy: -142.784
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: 3
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -1597.430678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1597.430678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1597.430678 (E_RNA)
where:
Base-Base interactions energy: -1128.617
where: short stacking energy: -437.092
Base-Backbone interact. energy: 0.546
local terms energy: -469.359624
where:
bonds (distance) C4'-P energy: -91.224
bonds (distance) P-C4' energy: -75.527
flat angles C4'-P-C4' energy: -114.300
flat angles P-C4'-P energy: -64.367
tors. eta vs tors. theta energy: -123.942
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: 9
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -1485.667444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.667444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.667444 (E_RNA)
where:
Base-Base interactions energy: -1031.197
where: short stacking energy: -457.526
Base-Backbone interact. energy: -0.208
local terms energy: -454.262001
where:
bonds (distance) C4'-P energy: -97.363
bonds (distance) P-C4' energy: -78.047
flat angles C4'-P-C4' energy: -96.963
flat angles P-C4'-P energy: -62.671
tors. eta vs tors. theta energy: -119.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -1361.814097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.814097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.814097 (E_RNA)
where:
Base-Base interactions energy: -930.865
where: short stacking energy: -384.019
Base-Backbone interact. energy: -3.001
local terms energy: -427.948149
where:
bonds (distance) C4'-P energy: -90.987
bonds (distance) P-C4' energy: -109.711
flat angles C4'-P-C4' energy: -100.118
flat angles P-C4'-P energy: -38.420
tors. eta vs tors. theta energy: -88.713
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: 5
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -1277.181902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.181902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.181902 (E_RNA)
where:
Base-Base interactions energy: -885.698
where: short stacking energy: -368.482
Base-Backbone interact. energy: -1.086
local terms energy: -390.398195
where:
bonds (distance) C4'-P energy: -82.107
bonds (distance) P-C4' energy: -85.334
flat angles C4'-P-C4' energy: -81.594
flat angles P-C4'-P energy: -57.510
tors. eta vs tors. theta energy: -83.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -1174.440242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1174.440242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1174.440242 (E_RNA)
where:
Base-Base interactions energy: -807.915
where: short stacking energy: -329.615
Base-Backbone interact. energy: -1.663
local terms energy: -364.862534
where:
bonds (distance) C4'-P energy: -80.775
bonds (distance) P-C4' energy: -81.975
flat angles C4'-P-C4' energy: -80.626
flat angles P-C4'-P energy: -57.926
tors. eta vs tors. theta energy: -63.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -832.688935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -832.688935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -832.688935 (E_RNA)
where:
Base-Base interactions energy: -531.295
where: short stacking energy: -243.702
Base-Backbone interact. energy: 0.735
local terms energy: -302.129467
where:
bonds (distance) C4'-P energy: -59.905
bonds (distance) P-C4' energy: -78.002
flat angles C4'-P-C4' energy: -89.763
flat angles P-C4'-P energy: -43.297
tors. eta vs tors. theta energy: -31.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -1951.895008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.895008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.895008 (E_RNA)
where:
Base-Base interactions energy: -1400.079
where: short stacking energy: -554.750
Base-Backbone interact. energy: -4.116
local terms energy: -547.699840
where:
bonds (distance) C4'-P energy: -90.583
bonds (distance) P-C4' energy: -102.544
flat angles C4'-P-C4' energy: -123.952
flat angles P-C4'-P energy: -81.493
tors. eta vs tors. theta energy: -149.128
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: 1
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -1885.789310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.789310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.789310 (E_RNA)
where:
Base-Base interactions energy: -1365.616
where: short stacking energy: -524.910
Base-Backbone interact. energy: 0.995
local terms energy: -521.168191
where:
bonds (distance) C4'-P energy: -104.896
bonds (distance) P-C4' energy: -88.276
flat angles C4'-P-C4' energy: -110.110
flat angles P-C4'-P energy: -74.064
tors. eta vs tors. theta energy: -143.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -1826.674699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1826.674699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1826.674699 (E_RNA)
where:
Base-Base interactions energy: -1291.043
where: short stacking energy: -490.802
Base-Backbone interact. energy: -1.907
local terms energy: -533.724235
where:
bonds (distance) C4'-P energy: -95.187
bonds (distance) P-C4' energy: -106.365
flat angles C4'-P-C4' energy: -115.945
flat angles P-C4'-P energy: -82.214
tors. eta vs tors. theta energy: -134.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -1733.076423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.076423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.076423 (E_RNA)
where:
Base-Base interactions energy: -1241.940
where: short stacking energy: -520.972
Base-Backbone interact. energy: 1.929
local terms energy: -493.065766
where:
bonds (distance) C4'-P energy: -88.482
bonds (distance) P-C4' energy: -98.191
flat angles C4'-P-C4' energy: -111.183
flat angles P-C4'-P energy: -65.252
tors. eta vs tors. theta energy: -129.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -1620.802175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.802175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.802175 (E_RNA)
where:
Base-Base interactions energy: -1137.964
where: short stacking energy: -473.413
Base-Backbone interact. energy: -0.718
local terms energy: -482.119338
where:
bonds (distance) C4'-P energy: -81.118
bonds (distance) P-C4' energy: -90.404
flat angles C4'-P-C4' energy: -100.497
flat angles P-C4'-P energy: -71.157
tors. eta vs tors. theta energy: -138.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -1452.722598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.722598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.722598 (E_RNA)
where:
Base-Base interactions energy: -1000.931
where: short stacking energy: -461.096
Base-Backbone interact. energy: 0.594
local terms energy: -452.385716
where:
bonds (distance) C4'-P energy: -85.864
bonds (distance) P-C4' energy: -88.931
flat angles C4'-P-C4' energy: -97.532
flat angles P-C4'-P energy: -71.415
tors. eta vs tors. theta energy: -108.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -1390.417401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.417401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.417401 (E_RNA)
where:
Base-Base interactions energy: -988.411
where: short stacking energy: -413.213
Base-Backbone interact. energy: 4.253
local terms energy: -406.259696
where:
bonds (distance) C4'-P energy: -91.334
bonds (distance) P-C4' energy: -68.564
flat angles C4'-P-C4' energy: -94.183
flat angles P-C4'-P energy: -59.368
tors. eta vs tors. theta energy: -92.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -1285.699017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.699017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.699017 (E_RNA)
where:
Base-Base interactions energy: -880.041
where: short stacking energy: -361.502
Base-Backbone interact. energy: -1.822
local terms energy: -403.836133
where:
bonds (distance) C4'-P energy: -89.312
bonds (distance) P-C4' energy: -89.906
flat angles C4'-P-C4' energy: -92.191
flat angles P-C4'-P energy: -65.707
tors. eta vs tors. theta energy: -66.720
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: 6
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -1177.940785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.940785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.940785 (E_RNA)
where:
Base-Base interactions energy: -787.648
where: short stacking energy: -334.373
Base-Backbone interact. energy: 3.462
local terms energy: -393.755468
where:
bonds (distance) C4'-P energy: -91.849
bonds (distance) P-C4' energy: -82.165
flat angles C4'-P-C4' energy: -80.989
flat angles P-C4'-P energy: -60.898
tors. eta vs tors. theta energy: -77.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -854.461176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.461176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.461176 (E_RNA)
where:
Base-Base interactions energy: -519.331
where: short stacking energy: -255.130
Base-Backbone interact. energy: -1.321
local terms energy: -333.808970
where:
bonds (distance) C4'-P energy: -85.627
bonds (distance) P-C4' energy: -85.321
flat angles C4'-P-C4' energy: -79.060
flat angles P-C4'-P energy: -48.300
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: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -1961.311868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.311868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.311868 (E_RNA)
where:
Base-Base interactions energy: -1401.093
where: short stacking energy: -564.552
Base-Backbone interact. energy: -5.240
local terms energy: -554.978780
where:
bonds (distance) C4'-P energy: -91.379
bonds (distance) P-C4' energy: -105.103
flat angles C4'-P-C4' energy: -124.308
flat angles P-C4'-P energy: -79.322
tors. eta vs tors. theta energy: -154.867
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: 1
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -1876.457320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.457320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.457320 (E_RNA)
where:
Base-Base interactions energy: -1342.161
where: short stacking energy: -521.871
Base-Backbone interact. energy: 2.074
local terms energy: -536.370177
where:
bonds (distance) C4'-P energy: -85.426
bonds (distance) P-C4' energy: -100.925
flat angles C4'-P-C4' energy: -114.889
flat angles P-C4'-P energy: -85.784
tors. eta vs tors. theta energy: -149.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -1808.878130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.878130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.878130 (E_RNA)
where:
Base-Base interactions energy: -1294.652
where: short stacking energy: -545.304
Base-Backbone interact. energy: -0.857
local terms energy: -513.368618
where:
bonds (distance) C4'-P energy: -105.623
bonds (distance) P-C4' energy: -101.031
flat angles C4'-P-C4' energy: -102.353
flat angles P-C4'-P energy: -64.960
tors. eta vs tors. theta energy: -139.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -1783.490199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.490199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.490199 (E_RNA)
where:
Base-Base interactions energy: -1269.449
where: short stacking energy: -499.493
Base-Backbone interact. energy: 0.948
local terms energy: -514.989123
where:
bonds (distance) C4'-P energy: -94.479
bonds (distance) P-C4' energy: -99.877
flat angles C4'-P-C4' energy: -113.059
flat angles P-C4'-P energy: -65.471
tors. eta vs tors. theta energy: -142.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -1636.748588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.748588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.748588 (E_RNA)
where:
Base-Base interactions energy: -1152.352
where: short stacking energy: -480.238
Base-Backbone interact. energy: -2.652
local terms energy: -481.744478
where:
bonds (distance) C4'-P energy: -74.141
bonds (distance) P-C4' energy: -102.335
flat angles C4'-P-C4' energy: -101.180
flat angles P-C4'-P energy: -68.662
tors. eta vs tors. theta energy: -135.426
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: 6, replica: 9
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -1488.587055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.587055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.587055 (E_RNA)
where:
Base-Base interactions energy: -1039.702
where: short stacking energy: -466.750
Base-Backbone interact. energy: 1.908
local terms energy: -450.792389
where:
bonds (distance) C4'-P energy: -77.162
bonds (distance) P-C4' energy: -92.321
flat angles C4'-P-C4' energy: -96.543
flat angles P-C4'-P energy: -59.471
tors. eta vs tors. theta energy: -125.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -1370.348957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.348957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.348957 (E_RNA)
where:
Base-Base interactions energy: -938.325
where: short stacking energy: -395.189
Base-Backbone interact. energy: 1.807
local terms energy: -433.830950
where:
bonds (distance) C4'-P energy: -91.733
bonds (distance) P-C4' energy: -85.639
flat angles C4'-P-C4' energy: -93.707
flat angles P-C4'-P energy: -72.007
tors. eta vs tors. theta energy: -90.745
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: 5
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -1235.959473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.959473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.959473 (E_RNA)
where:
Base-Base interactions energy: -810.900
where: short stacking energy: -355.900
Base-Backbone interact. energy: -0.498
local terms energy: -424.561275
where:
bonds (distance) C4'-P energy: -90.642
bonds (distance) P-C4' energy: -93.898
flat angles C4'-P-C4' energy: -91.018
flat angles P-C4'-P energy: -63.824
tors. eta vs tors. theta energy: -85.179
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: 9, replica: 6
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -1202.674155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.674155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.674155 (E_RNA)
where:
Base-Base interactions energy: -835.405
where: short stacking energy: -375.673
Base-Backbone interact. energy: -1.239
local terms energy: -366.030789
where:
bonds (distance) C4'-P energy: -56.983
bonds (distance) P-C4' energy: -69.178
flat angles C4'-P-C4' energy: -101.932
flat angles P-C4'-P energy: -53.309
tors. eta vs tors. theta energy: -84.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -852.590830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.590830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.590830 (E_RNA)
where:
Base-Base interactions energy: -511.473
where: short stacking energy: -251.245
Base-Backbone interact. energy: 0.490
local terms energy: -341.607804
where:
bonds (distance) C4'-P energy: -98.445
bonds (distance) P-C4' energy: -89.416
flat angles C4'-P-C4' energy: -79.525
flat angles P-C4'-P energy: -32.784
tors. eta vs tors. theta energy: -41.438
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: 300
Temperature: 0.900000
Total energy: -1974.942837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1974.942837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1974.942837 (E_RNA)
where:
Base-Base interactions energy: -1416.607
where: short stacking energy: -549.432
Base-Backbone interact. energy: -1.562
local terms energy: -556.774546
where:
bonds (distance) C4'-P energy: -112.282
bonds (distance) P-C4' energy: -95.640
flat angles C4'-P-C4' energy: -122.124
flat angles P-C4'-P energy: -76.899
tors. eta vs tors. theta energy: -149.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -1870.985923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.985923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.985923 (E_RNA)
where:
Base-Base interactions energy: -1331.845
where: short stacking energy: -535.054
Base-Backbone interact. energy: 2.419
local terms energy: -541.559839
where:
bonds (distance) C4'-P energy: -87.046
bonds (distance) P-C4' energy: -110.327
flat angles C4'-P-C4' energy: -114.104
flat angles P-C4'-P energy: -77.260
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: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -1784.091073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.091073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.091073 (E_RNA)
where:
Base-Base interactions energy: -1271.224
where: short stacking energy: -526.922
Base-Backbone interact. energy: -1.236
local terms energy: -511.630390
where:
bonds (distance) C4'-P energy: -85.040
bonds (distance) P-C4' energy: -94.212
flat angles C4'-P-C4' energy: -116.418
flat angles P-C4'-P energy: -70.556
tors. eta vs tors. theta energy: -145.405
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: 4, replica: 8
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -1753.799062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.799062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.799062 (E_RNA)
where:
Base-Base interactions energy: -1231.863
where: short stacking energy: -502.044
Base-Backbone interact. energy: 0.095
local terms energy: -522.031248
where:
bonds (distance) C4'-P energy: -101.482
bonds (distance) P-C4' energy: -88.497
flat angles C4'-P-C4' energy: -115.507
flat angles P-C4'-P energy: -77.549
tors. eta vs tors. theta energy: -138.996
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: 3
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -1628.800481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.800481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.800481 (E_RNA)
where:
Base-Base interactions energy: -1172.294
where: short stacking energy: -464.661
Base-Backbone interact. energy: -1.632
local terms energy: -454.874368
where:
bonds (distance) C4'-P energy: -79.673
bonds (distance) P-C4' energy: -90.054
flat angles C4'-P-C4' energy: -97.748
flat angles P-C4'-P energy: -58.624
tors. eta vs tors. theta energy: -128.775
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: 9
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -1471.699619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.699619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.699619 (E_RNA)
where:
Base-Base interactions energy: -1009.959
where: short stacking energy: -445.288
Base-Backbone interact. energy: 0.032
local terms energy: -461.771964
where:
bonds (distance) C4'-P energy: -100.616
bonds (distance) P-C4' energy: -94.423
flat angles C4'-P-C4' energy: -102.128
flat angles P-C4'-P energy: -56.388
tors. eta vs tors. theta energy: -108.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -1350.957186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.957186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.957186 (E_RNA)
where:
Base-Base interactions energy: -915.948
where: short stacking energy: -369.764
Base-Backbone interact. energy: -1.162
local terms energy: -433.847803
where:
bonds (distance) C4'-P energy: -88.100
bonds (distance) P-C4' energy: -95.583
flat angles C4'-P-C4' energy: -87.377
flat angles P-C4'-P energy: -69.574
tors. eta vs tors. theta energy: -93.212
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: 5
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -1260.301812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.301812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.301812 (E_RNA)
where:
Base-Base interactions energy: -856.773
where: short stacking energy: -349.194
Base-Backbone interact. energy: -2.019
local terms energy: -401.510675
where:
bonds (distance) C4'-P energy: -71.974
bonds (distance) P-C4' energy: -90.667
flat angles C4'-P-C4' energy: -99.788
flat angles P-C4'-P energy: -51.965
tors. eta vs tors. theta energy: -87.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -1153.797118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.797118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.797118 (E_RNA)
where:
Base-Base interactions energy: -759.055
where: short stacking energy: -326.324
Base-Backbone interact. energy: -2.335
local terms energy: -392.407167
where:
bonds (distance) C4'-P energy: -77.540
bonds (distance) P-C4' energy: -91.705
flat angles C4'-P-C4' energy: -90.519
flat angles P-C4'-P energy: -59.875
tors. eta vs tors. theta energy: -72.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -789.981479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -789.981479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -789.981479 (E_RNA)
where:
Base-Base interactions energy: -445.059
where: short stacking energy: -184.263
Base-Backbone interact. energy: -0.663
local terms energy: -344.259419
where:
bonds (distance) C4'-P energy: -82.848
bonds (distance) P-C4' energy: -102.547
flat angles C4'-P-C4' energy: -77.552
flat angles P-C4'-P energy: -54.972
tors. eta vs tors. theta energy: -26.341
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: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -1999.997001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1999.997001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1999.997001 (E_RNA)
where:
Base-Base interactions energy: -1441.217
where: short stacking energy: -577.805
Base-Backbone interact. energy: 0.149
local terms energy: -558.929643
where:
bonds (distance) C4'-P energy: -102.797
bonds (distance) P-C4' energy: -103.190
flat angles C4'-P-C4' energy: -117.538
flat angles P-C4'-P energy: -78.516
tors. eta vs tors. theta energy: -156.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -1909.360571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.360571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.360571 (E_RNA)
where:
Base-Base interactions energy: -1337.576
where: short stacking energy: -565.920
Base-Backbone interact. energy: -1.630
local terms energy: -570.154236
where:
bonds (distance) C4'-P energy: -109.954
bonds (distance) P-C4' energy: -109.715
flat angles C4'-P-C4' energy: -118.379
flat angles P-C4'-P energy: -78.341
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: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -1776.052589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.052589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.052589 (E_RNA)
where:
Base-Base interactions energy: -1248.652
where: short stacking energy: -510.239
Base-Backbone interact. energy: -2.649
local terms energy: -524.752401
where:
bonds (distance) C4'-P energy: -94.516
bonds (distance) P-C4' energy: -93.411
flat angles C4'-P-C4' energy: -113.053
flat angles P-C4'-P energy: -81.904
tors. eta vs tors. theta energy: -141.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -1748.154164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.154164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.154164 (E_RNA)
where:
Base-Base interactions energy: -1247.123
where: short stacking energy: -494.434
Base-Backbone interact. energy: 0.312
local terms energy: -501.343046
where:
bonds (distance) C4'-P energy: -91.328
bonds (distance) P-C4' energy: -81.725
flat angles C4'-P-C4' energy: -108.795
flat angles P-C4'-P energy: -86.205
tors. eta vs tors. theta energy: -133.290
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: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -1624.049795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.049795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.049795 (E_RNA)
where:
Base-Base interactions energy: -1121.308
where: short stacking energy: -451.862
Base-Backbone interact. energy: -2.049
local terms energy: -500.692491
where:
bonds (distance) C4'-P energy: -100.385
bonds (distance) P-C4' energy: -105.239
flat angles C4'-P-C4' energy: -108.332
flat angles P-C4'-P energy: -68.481
tors. eta vs tors. theta energy: -118.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -1483.217876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.217876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.217876 (E_RNA)
where:
Base-Base interactions energy: -1036.112
where: short stacking energy: -447.826
Base-Backbone interact. energy: -3.779
local terms energy: -443.327023
where:
bonds (distance) C4'-P energy: -82.571
bonds (distance) P-C4' energy: -82.707
flat angles C4'-P-C4' energy: -105.033
flat angles P-C4'-P energy: -54.049
tors. eta vs tors. theta energy: -118.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -1388.453661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.453661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.453661 (E_RNA)
where:
Base-Base interactions energy: -950.712
where: short stacking energy: -401.866
Base-Backbone interact. energy: -1.366
local terms energy: -436.375058
where:
bonds (distance) C4'-P energy: -86.580
bonds (distance) P-C4' energy: -85.609
flat angles C4'-P-C4' energy: -101.321
flat angles P-C4'-P energy: -62.102
tors. eta vs tors. theta energy: -100.764
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: 5
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -1249.032354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1249.032354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1249.032354 (E_RNA)
where:
Base-Base interactions energy: -860.752
where: short stacking energy: -350.805
Base-Backbone interact. energy: 3.823
local terms energy: -392.103768
where:
bonds (distance) C4'-P energy: -80.766
bonds (distance) P-C4' energy: -92.740
flat angles C4'-P-C4' energy: -85.339
flat angles P-C4'-P energy: -62.383
tors. eta vs tors. theta energy: -70.875
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: 9, replica: 6
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -1197.347019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.347019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.347019 (E_RNA)
where:
Base-Base interactions energy: -805.416
where: short stacking energy: -317.978
Base-Backbone interact. energy: -2.882
local terms energy: -389.048500
where:
bonds (distance) C4'-P energy: -81.767
bonds (distance) P-C4' energy: -90.065
flat angles C4'-P-C4' energy: -98.069
flat angles P-C4'-P energy: -55.933
tors. eta vs tors. theta energy: -63.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -741.060381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.060381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.060381 (E_RNA)
where:
Base-Base interactions energy: -444.441
where: short stacking energy: -223.992
Base-Backbone interact. energy: -1.808
local terms energy: -294.811429
where:
bonds (distance) C4'-P energy: -91.401
bonds (distance) P-C4' energy: -73.875
flat angles C4'-P-C4' energy: -65.016
flat angles P-C4'-P energy: -33.109
tors. eta vs tors. theta energy: -31.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -1993.990748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.990748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.990748 (E_RNA)
where:
Base-Base interactions energy: -1448.383
where: short stacking energy: -587.692
Base-Backbone interact. energy: -2.239
local terms energy: -543.368764
where:
bonds (distance) C4'-P energy: -89.973
bonds (distance) P-C4' energy: -98.601
flat angles C4'-P-C4' energy: -116.949
flat angles P-C4'-P energy: -77.291
tors. eta vs tors. theta energy: -160.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -1887.416843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.416843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.416843 (E_RNA)
where:
Base-Base interactions energy: -1345.218
where: short stacking energy: -537.208
Base-Backbone interact. energy: -2.145
local terms energy: -540.054088
where:
bonds (distance) C4'-P energy: -92.179
bonds (distance) P-C4' energy: -107.973
flat angles C4'-P-C4' energy: -111.546
flat angles P-C4'-P energy: -75.055
tors. eta vs tors. theta energy: -153.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -1775.515572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.515572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.515572 (E_RNA)
where:
Base-Base interactions energy: -1247.256
where: short stacking energy: -507.281
Base-Backbone interact. energy: -0.765
local terms energy: -527.494468
where:
bonds (distance) C4'-P energy: -95.767
bonds (distance) P-C4' energy: -100.490
flat angles C4'-P-C4' energy: -109.643
flat angles P-C4'-P energy: -77.395
tors. eta vs tors. theta energy: -144.199
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: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -1691.662953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.662953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.662953 (E_RNA)
where:
Base-Base interactions energy: -1210.208
where: short stacking energy: -496.559
Base-Backbone interact. energy: -3.325
local terms energy: -478.130516
where:
bonds (distance) C4'-P energy: -79.466
bonds (distance) P-C4' energy: -85.110
flat angles C4'-P-C4' energy: -97.803
flat angles P-C4'-P energy: -75.394
tors. eta vs tors. theta energy: -140.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -1606.846443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.846443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.846443 (E_RNA)
where:
Base-Base interactions energy: -1139.541
where: short stacking energy: -477.467
Base-Backbone interact. energy: -5.164
local terms energy: -462.141835
where:
bonds (distance) C4'-P energy: -64.554
bonds (distance) P-C4' energy: -96.265
flat angles C4'-P-C4' energy: -100.529
flat angles P-C4'-P energy: -73.851
tors. eta vs tors. theta energy: -126.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -1520.628361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.628361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.628361 (E_RNA)
where:
Base-Base interactions energy: -1038.392
where: short stacking energy: -453.688
Base-Backbone interact. energy: -2.667
local terms energy: -479.569122
where:
bonds (distance) C4'-P energy: -86.730
bonds (distance) P-C4' energy: -89.416
flat angles C4'-P-C4' energy: -106.806
flat angles P-C4'-P energy: -74.731
tors. eta vs tors. theta energy: -121.886
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: 302
Temperature: 1.200000
Total energy: -1328.955502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.955502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.955502 (E_RNA)
where:
Base-Base interactions energy: -909.480
where: short stacking energy: -387.279
Base-Backbone interact. energy: -0.147
local terms energy: -419.328420
where:
bonds (distance) C4'-P energy: -89.737
bonds (distance) P-C4' energy: -92.015
flat angles C4'-P-C4' energy: -95.079
flat angles P-C4'-P energy: -57.837
tors. eta vs tors. theta energy: -84.660
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: 8, replica: 5
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -1207.750170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1207.750170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1207.750170 (E_RNA)
where:
Base-Base interactions energy: -834.576
where: short stacking energy: -346.924
Base-Backbone interact. energy: 3.811
local terms energy: -376.984844
where:
bonds (distance) C4'-P energy: -83.350
bonds (distance) P-C4' energy: -91.954
flat angles C4'-P-C4' energy: -88.161
flat angles P-C4'-P energy: -37.769
tors. eta vs tors. theta energy: -75.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -1143.418219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.418219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.418219 (E_RNA)
where:
Base-Base interactions energy: -773.496
where: short stacking energy: -347.530
Base-Backbone interact. energy: 2.884
local terms energy: -372.806967
where:
bonds (distance) C4'-P energy: -84.060
bonds (distance) P-C4' energy: -90.143
flat angles C4'-P-C4' energy: -86.987
flat angles P-C4'-P energy: -44.869
tors. eta vs tors. theta energy: -66.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -728.771694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.771694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.771694 (E_RNA)
where:
Base-Base interactions energy: -433.897
where: short stacking energy: -224.787
Base-Backbone interact. energy: -1.126
local terms energy: -293.748789
where:
bonds (distance) C4'-P energy: -81.062
bonds (distance) P-C4' energy: -79.901
flat angles C4'-P-C4' energy: -77.285
flat angles P-C4'-P energy: -31.936
tors. eta vs tors. theta energy: -23.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -1975.748845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1975.748845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1975.748845 (E_RNA)
where:
Base-Base interactions energy: -1427.241
where: short stacking energy: -561.600
Base-Backbone interact. energy: 5.981
local terms energy: -554.489576
where:
bonds (distance) C4'-P energy: -106.532
bonds (distance) P-C4' energy: -98.331
flat angles C4'-P-C4' energy: -116.791
flat angles P-C4'-P energy: -82.279
tors. eta vs tors. theta energy: -150.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -1914.918792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.918792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.918792 (E_RNA)
where:
Base-Base interactions energy: -1357.882
where: short stacking energy: -565.074
Base-Backbone interact. energy: -2.204
local terms energy: -554.832876
where:
bonds (distance) C4'-P energy: -101.622
bonds (distance) P-C4' energy: -106.984
flat angles C4'-P-C4' energy: -123.047
flat angles P-C4'-P energy: -65.224
tors. eta vs tors. theta energy: -157.956
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: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -1818.984461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.984461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.984461 (E_RNA)
where:
Base-Base interactions energy: -1306.807
where: short stacking energy: -532.244
Base-Backbone interact. energy: 2.893
local terms energy: -515.070228
where:
bonds (distance) C4'-P energy: -93.141
bonds (distance) P-C4' energy: -94.913
flat angles C4'-P-C4' energy: -114.944
flat angles P-C4'-P energy: -80.342
tors. eta vs tors. theta energy: -131.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -1723.440268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.440268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.440268 (E_RNA)
where:
Base-Base interactions energy: -1248.604
where: short stacking energy: -501.345
Base-Backbone interact. energy: 0.221
local terms energy: -475.057196
where:
bonds (distance) C4'-P energy: -76.880
bonds (distance) P-C4' energy: -103.001
flat angles C4'-P-C4' energy: -108.512
flat angles P-C4'-P energy: -52.264
tors. eta vs tors. theta energy: -134.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -1648.774025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.774025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.774025 (E_RNA)
where:
Base-Base interactions energy: -1152.406
where: short stacking energy: -472.339
Base-Backbone interact. energy: 5.284
local terms energy: -501.651881
where:
bonds (distance) C4'-P energy: -91.934
bonds (distance) P-C4' energy: -99.401
flat angles C4'-P-C4' energy: -106.285
flat angles P-C4'-P energy: -70.556
tors. eta vs tors. theta energy: -133.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -1523.585311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.585311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.585311 (E_RNA)
where:
Base-Base interactions energy: -1068.428
where: short stacking energy: -453.578
Base-Backbone interact. energy: -0.005
local terms energy: -455.152316
where:
bonds (distance) C4'-P energy: -86.972
bonds (distance) P-C4' energy: -89.532
flat angles C4'-P-C4' energy: -103.697
flat angles P-C4'-P energy: -56.669
tors. eta vs tors. theta energy: -118.282
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: 303
Temperature: 1.200000
Total energy: -1346.100705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.100705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.100705 (E_RNA)
where:
Base-Base interactions energy: -915.677
where: short stacking energy: -386.275
Base-Backbone interact. energy: -1.100
local terms energy: -429.324093
where:
bonds (distance) C4'-P energy: -86.864
bonds (distance) P-C4' energy: -97.019
flat angles C4'-P-C4' energy: -100.951
flat angles P-C4'-P energy: -47.526
tors. eta vs tors. theta energy: -96.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -1232.977399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.977399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.977399 (E_RNA)
where:
Base-Base interactions energy: -853.018
where: short stacking energy: -348.208
Base-Backbone interact. energy: 1.845
local terms energy: -381.805354
where:
bonds (distance) C4'-P energy: -103.761
bonds (distance) P-C4' energy: -75.192
flat angles C4'-P-C4' energy: -92.194
flat angles P-C4'-P energy: -46.154
tors. eta vs tors. theta energy: -64.504
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: 5
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -1218.457085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.457085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.457085 (E_RNA)
where:
Base-Base interactions energy: -839.442
where: short stacking energy: -350.890
Base-Backbone interact. energy: 1.282
local terms energy: -380.296693
where:
bonds (distance) C4'-P energy: -82.308
bonds (distance) P-C4' energy: -82.135
flat angles C4'-P-C4' energy: -98.999
flat angles P-C4'-P energy: -45.605
tors. eta vs tors. theta energy: -71.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -722.563338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.563338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.563338 (E_RNA)
where:
Base-Base interactions energy: -441.226
where: short stacking energy: -205.847
Base-Backbone interact. energy: 0.800
local terms energy: -282.137204
where:
bonds (distance) C4'-P energy: -76.571
bonds (distance) P-C4' energy: -89.522
flat angles C4'-P-C4' energy: -78.554
flat angles P-C4'-P energy: -27.249
tors. eta vs tors. theta energy: -10.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -1973.334773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.334773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.334773 (E_RNA)
where:
Base-Base interactions energy: -1416.376
where: short stacking energy: -567.466
Base-Backbone interact. energy: 2.262
local terms energy: -559.220273
where:
bonds (distance) C4'-P energy: -88.110
bonds (distance) P-C4' energy: -112.270
flat angles C4'-P-C4' energy: -118.353
flat angles P-C4'-P energy: -83.360
tors. eta vs tors. theta energy: -157.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -1877.681721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1877.681721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1877.681721 (E_RNA)
where:
Base-Base interactions energy: -1352.251
where: short stacking energy: -536.448
Base-Backbone interact. energy: 2.092
local terms energy: -527.522928
where:
bonds (distance) C4'-P energy: -96.589
bonds (distance) P-C4' energy: -96.584
flat angles C4'-P-C4' energy: -111.748
flat angles P-C4'-P energy: -71.811
tors. eta vs tors. theta energy: -150.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -1783.589920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.589920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.589920 (E_RNA)
where:
Base-Base interactions energy: -1258.828
where: short stacking energy: -492.180
Base-Backbone interact. energy: 0.059
local terms energy: -524.821506
where:
bonds (distance) C4'-P energy: -93.056
bonds (distance) P-C4' energy: -101.179
flat angles C4'-P-C4' energy: -115.652
flat angles P-C4'-P energy: -76.234
tors. eta vs tors. theta energy: -138.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -1705.040522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.040522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.040522 (E_RNA)
where:
Base-Base interactions energy: -1205.421
where: short stacking energy: -507.156
Base-Backbone interact. energy: 1.175
local terms energy: -500.794160
where:
bonds (distance) C4'-P energy: -89.355
bonds (distance) P-C4' energy: -97.195
flat angles C4'-P-C4' energy: -106.313
flat angles P-C4'-P energy: -67.751
tors. eta vs tors. theta energy: -140.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -1647.806118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.806118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.806118 (E_RNA)
where:
Base-Base interactions energy: -1163.680
where: short stacking energy: -485.636
Base-Backbone interact. energy: -0.340
local terms energy: -483.786054
where:
bonds (distance) C4'-P energy: -95.186
bonds (distance) P-C4' energy: -96.289
flat angles C4'-P-C4' energy: -95.351
flat angles P-C4'-P energy: -61.716
tors. eta vs tors. theta energy: -135.244
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: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -1464.830984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.830984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.830984 (E_RNA)
where:
Base-Base interactions energy: -1048.759
where: short stacking energy: -447.777
Base-Backbone interact. energy: -0.318
local terms energy: -415.753929
where:
bonds (distance) C4'-P energy: -81.519
bonds (distance) P-C4' energy: -55.202
flat angles C4'-P-C4' energy: -96.175
flat angles P-C4'-P energy: -66.494
tors. eta vs tors. theta energy: -116.363
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: 304
Temperature: 1.200000
Total energy: -1361.054822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1361.054822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1361.054822 (E_RNA)
where:
Base-Base interactions energy: -931.687
where: short stacking energy: -410.114
Base-Backbone interact. energy: 1.804
local terms energy: -431.171620
where:
bonds (distance) C4'-P energy: -80.869
bonds (distance) P-C4' energy: -92.431
flat angles C4'-P-C4' energy: -84.579
flat angles P-C4'-P energy: -66.042
tors. eta vs tors. theta energy: -107.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -1227.184334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.184334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.184334 (E_RNA)
where:
Base-Base interactions energy: -844.503
where: short stacking energy: -379.386
Base-Backbone interact. energy: 0.977
local terms energy: -383.657704
where:
bonds (distance) C4'-P energy: -67.326
bonds (distance) P-C4' energy: -90.700
flat angles C4'-P-C4' energy: -86.432
flat angles P-C4'-P energy: -53.793
tors. eta vs tors. theta energy: -85.407
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: 5
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -1217.599782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.599782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.599782 (E_RNA)
where:
Base-Base interactions energy: -839.522
where: short stacking energy: -337.426
Base-Backbone interact. energy: -0.625
local terms energy: -377.453474
where:
bonds (distance) C4'-P energy: -84.532
bonds (distance) P-C4' energy: -77.639
flat angles C4'-P-C4' energy: -90.555
flat angles P-C4'-P energy: -52.338
tors. eta vs tors. theta energy: -72.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -759.395642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -759.395642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -759.395642 (E_RNA)
where:
Base-Base interactions energy: -435.483
where: short stacking energy: -222.284
Base-Backbone interact. energy: -2.948
local terms energy: -320.964276
where:
bonds (distance) C4'-P energy: -77.848
bonds (distance) P-C4' energy: -82.747
flat angles C4'-P-C4' energy: -71.290
flat angles P-C4'-P energy: -50.137
tors. eta vs tors. theta energy: -38.942
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: 305
Temperature: 0.900000
Total energy: -1956.474831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.474831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.474831 (E_RNA)
where:
Base-Base interactions energy: -1406.464
where: short stacking energy: -568.143
Base-Backbone interact. energy: 1.775
local terms energy: -551.786574
where:
bonds (distance) C4'-P energy: -106.023
bonds (distance) P-C4' energy: -98.256
flat angles C4'-P-C4' energy: -115.131
flat angles P-C4'-P energy: -76.174
tors. eta vs tors. theta energy: -156.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -1889.696519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.696519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.696519 (E_RNA)
where:
Base-Base interactions energy: -1354.909
where: short stacking energy: -533.067
Base-Backbone interact. energy: 1.718
local terms energy: -536.505325
where:
bonds (distance) C4'-P energy: -90.689
bonds (distance) P-C4' energy: -103.920
flat angles C4'-P-C4' energy: -119.238
flat angles P-C4'-P energy: -76.760
tors. eta vs tors. theta energy: -145.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -1760.831519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.831519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.831519 (E_RNA)
where:
Base-Base interactions energy: -1253.865
where: short stacking energy: -508.184
Base-Backbone interact. energy: -0.943
local terms energy: -506.023408
where:
bonds (distance) C4'-P energy: -87.132
bonds (distance) P-C4' energy: -97.629
flat angles C4'-P-C4' energy: -118.389
flat angles P-C4'-P energy: -53.736
tors. eta vs tors. theta energy: -149.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -1699.104417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.104417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.104417 (E_RNA)
where:
Base-Base interactions energy: -1195.785
where: short stacking energy: -469.494
Base-Backbone interact. energy: 0.303
local terms energy: -503.621985
where:
bonds (distance) C4'-P energy: -95.390
bonds (distance) P-C4' energy: -106.330
flat angles C4'-P-C4' energy: -107.741
flat angles P-C4'-P energy: -65.874
tors. eta vs tors. theta energy: -128.288
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: 5, replica: 3
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -1661.690021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.690021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.690021 (E_RNA)
where:
Base-Base interactions energy: -1178.869
where: short stacking energy: -466.014
Base-Backbone interact. energy: -0.209
local terms energy: -482.612351
where:
bonds (distance) C4'-P energy: -89.931
bonds (distance) P-C4' energy: -84.413
flat angles C4'-P-C4' energy: -115.582
flat angles P-C4'-P energy: -61.475
tors. eta vs tors. theta energy: -131.211
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: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -1488.649394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.649394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.649394 (E_RNA)
where:
Base-Base interactions energy: -1023.092
where: short stacking energy: -423.486
Base-Backbone interact. energy: -2.937
local terms energy: -462.620069
where:
bonds (distance) C4'-P energy: -89.585
bonds (distance) P-C4' energy: -99.411
flat angles C4'-P-C4' energy: -98.240
flat angles P-C4'-P energy: -72.566
tors. eta vs tors. theta energy: -102.819
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: 305
Temperature: 1.200000
Total energy: -1382.532316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.532316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.532316 (E_RNA)
where:
Base-Base interactions energy: -946.769
where: short stacking energy: -400.026
Base-Backbone interact. energy: -0.369
local terms energy: -435.394248
where:
bonds (distance) C4'-P energy: -94.059
bonds (distance) P-C4' energy: -92.288
flat angles C4'-P-C4' energy: -99.209
flat angles P-C4'-P energy: -55.304
tors. eta vs tors. theta energy: -94.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -1250.871651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.871651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.871651 (E_RNA)
where:
Base-Base interactions energy: -856.011
where: short stacking energy: -372.039
Base-Backbone interact. energy: -1.389
local terms energy: -393.472526
where:
bonds (distance) C4'-P energy: -90.476
bonds (distance) P-C4' energy: -88.155
flat angles C4'-P-C4' energy: -92.758
flat angles P-C4'-P energy: -47.076
tors. eta vs tors. theta energy: -75.008
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: 9, replica: 6
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -1144.714332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.714332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.714332 (E_RNA)
where:
Base-Base interactions energy: -771.683
where: short stacking energy: -303.341
Base-Backbone interact. energy: -0.563
local terms energy: -372.468399
where:
bonds (distance) C4'-P energy: -81.494
bonds (distance) P-C4' energy: -81.070
flat angles C4'-P-C4' energy: -102.392
flat angles P-C4'-P energy: -38.712
tors. eta vs tors. theta energy: -68.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -798.225718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.225718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.225718 (E_RNA)
where:
Base-Base interactions energy: -481.130
where: short stacking energy: -248.095
Base-Backbone interact. energy: 0.207
local terms energy: -317.303234
where:
bonds (distance) C4'-P energy: -81.786
bonds (distance) P-C4' energy: -74.119
flat angles C4'-P-C4' energy: -80.531
flat angles P-C4'-P energy: -46.713
tors. eta vs tors. theta energy: -34.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -1962.561764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.561764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.561764 (E_RNA)
where:
Base-Base interactions energy: -1400.331
where: short stacking energy: -569.628
Base-Backbone interact. energy: 2.297
local terms energy: -564.527538
where:
bonds (distance) C4'-P energy: -88.239
bonds (distance) P-C4' energy: -99.416
flat angles C4'-P-C4' energy: -126.933
flat angles P-C4'-P energy: -89.421
tors. eta vs tors. theta energy: -160.519
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: 1
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -1887.836098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.836098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.836098 (E_RNA)
where:
Base-Base interactions energy: -1334.252
where: short stacking energy: -522.579
Base-Backbone interact. energy: 2.261
local terms energy: -555.844764
where:
bonds (distance) C4'-P energy: -95.062
bonds (distance) P-C4' energy: -106.743
flat angles C4'-P-C4' energy: -114.238
flat angles P-C4'-P energy: -88.345
tors. eta vs tors. theta energy: -151.457
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: 8
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -1768.121781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.121781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.121781 (E_RNA)
where:
Base-Base interactions energy: -1235.743
where: short stacking energy: -488.305
Base-Backbone interact. energy: -3.504
local terms energy: -528.875205
where:
bonds (distance) C4'-P energy: -109.770
bonds (distance) P-C4' energy: -98.757
flat angles C4'-P-C4' energy: -111.741
flat angles P-C4'-P energy: -68.463
tors. eta vs tors. theta energy: -140.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -1738.929869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.929869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.929869 (E_RNA)
where:
Base-Base interactions energy: -1246.714
where: short stacking energy: -500.902
Base-Backbone interact. energy: 1.882
local terms energy: -494.098338
where:
bonds (distance) C4'-P energy: -86.755
bonds (distance) P-C4' energy: -87.303
flat angles C4'-P-C4' energy: -104.836
flat angles P-C4'-P energy: -77.134
tors. eta vs tors. theta energy: -138.070
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: 3
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -1657.424202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.424202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.424202 (E_RNA)
where:
Base-Base interactions energy: -1181.331
where: short stacking energy: -486.426
Base-Backbone interact. energy: 4.769
local terms energy: -480.862633
where:
bonds (distance) C4'-P energy: -82.361
bonds (distance) P-C4' energy: -88.895
flat angles C4'-P-C4' energy: -114.748
flat angles P-C4'-P energy: -65.886
tors. eta vs tors. theta energy: -128.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -1496.985728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.985728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.985728 (E_RNA)
where:
Base-Base interactions energy: -1037.468
where: short stacking energy: -448.466
Base-Backbone interact. energy: -2.407
local terms energy: -457.110094
where:
bonds (distance) C4'-P energy: -83.483
bonds (distance) P-C4' energy: -79.980
flat angles C4'-P-C4' energy: -106.813
flat angles P-C4'-P energy: -73.642
tors. eta vs tors. theta energy: -113.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -1397.534613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1397.534613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1397.534613 (E_RNA)
where:
Base-Base interactions energy: -966.576
where: short stacking energy: -390.095
Base-Backbone interact. energy: -0.189
local terms energy: -430.769920
where:
bonds (distance) C4'-P energy: -76.274
bonds (distance) P-C4' energy: -94.369
flat angles C4'-P-C4' energy: -96.554
flat angles P-C4'-P energy: -70.466
tors. eta vs tors. theta energy: -93.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -1220.899194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1220.899194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1220.899194 (E_RNA)
where:
Base-Base interactions energy: -822.243
where: short stacking energy: -348.191
Base-Backbone interact. energy: -2.155
local terms energy: -396.502006
where:
bonds (distance) C4'-P energy: -69.341
bonds (distance) P-C4' energy: -85.333
flat angles C4'-P-C4' energy: -97.577
flat angles P-C4'-P energy: -67.862
tors. eta vs tors. theta energy: -76.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -1153.051695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.051695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.051695 (E_RNA)
where:
Base-Base interactions energy: -795.685
where: short stacking energy: -342.769
Base-Backbone interact. energy: 0.706
local terms energy: -358.072403
where:
bonds (distance) C4'-P energy: -76.145
bonds (distance) P-C4' energy: -86.137
flat angles C4'-P-C4' energy: -89.569
flat angles P-C4'-P energy: -37.041
tors. eta vs tors. theta energy: -69.181
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: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -765.952322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.952322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.952322 (E_RNA)
where:
Base-Base interactions energy: -440.000
where: short stacking energy: -214.114
Base-Backbone interact. energy: -0.987
local terms energy: -324.965211
where:
bonds (distance) C4'-P energy: -87.680
bonds (distance) P-C4' energy: -85.784
flat angles C4'-P-C4' energy: -95.280
flat angles P-C4'-P energy: -54.803
tors. eta vs tors. theta energy: -1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -1971.450695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.450695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.450695 (E_RNA)
where:
Base-Base interactions energy: -1411.958
where: short stacking energy: -578.182
Base-Backbone interact. energy: -0.925
local terms energy: -558.568475
where:
bonds (distance) C4'-P energy: -95.758
bonds (distance) P-C4' energy: -108.413
flat angles C4'-P-C4' energy: -120.694
flat angles P-C4'-P energy: -73.226
tors. eta vs tors. theta energy: -160.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -1869.876162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.876162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.876162 (E_RNA)
where:
Base-Base interactions energy: -1307.168
where: short stacking energy: -534.987
Base-Backbone interact. energy: -3.905
local terms energy: -558.802514
where:
bonds (distance) C4'-P energy: -101.831
bonds (distance) P-C4' energy: -108.156
flat angles C4'-P-C4' energy: -125.955
flat angles P-C4'-P energy: -72.597
tors. eta vs tors. theta energy: -150.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -1801.704477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.704477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.704477 (E_RNA)
where:
Base-Base interactions energy: -1283.175
where: short stacking energy: -524.202
Base-Backbone interact. energy: 0.504
local terms energy: -519.033621
where:
bonds (distance) C4'-P energy: -106.296
bonds (distance) P-C4' energy: -88.741
flat angles C4'-P-C4' energy: -112.836
flat angles P-C4'-P energy: -74.548
tors. eta vs tors. theta energy: -136.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -1739.741056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.741056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.741056 (E_RNA)
where:
Base-Base interactions energy: -1239.794
where: short stacking energy: -516.990
Base-Backbone interact. energy: -2.554
local terms energy: -497.393796
where:
bonds (distance) C4'-P energy: -81.774
bonds (distance) P-C4' energy: -93.424
flat angles C4'-P-C4' energy: -102.934
flat angles P-C4'-P energy: -76.027
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: 3
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -1632.617363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.617363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.617363 (E_RNA)
where:
Base-Base interactions energy: -1124.071
where: short stacking energy: -456.393
Base-Backbone interact. energy: -2.193
local terms energy: -506.353674
where:
bonds (distance) C4'-P energy: -87.129
bonds (distance) P-C4' energy: -103.463
flat angles C4'-P-C4' energy: -112.291
flat angles P-C4'-P energy: -71.104
tors. eta vs tors. theta energy: -132.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -1464.953492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.953492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.953492 (E_RNA)
where:
Base-Base interactions energy: -1002.657
where: short stacking energy: -437.907
Base-Backbone interact. energy: -3.274
local terms energy: -459.022689
where:
bonds (distance) C4'-P energy: -78.111
bonds (distance) P-C4' energy: -88.672
flat angles C4'-P-C4' energy: -107.264
flat angles P-C4'-P energy: -69.213
tors. eta vs tors. theta energy: -115.763
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: 7
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -1400.051138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.051138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.051138 (E_RNA)
where:
Base-Base interactions energy: -972.442
where: short stacking energy: -401.449
Base-Backbone interact. energy: -1.989
local terms energy: -425.619829
where:
bonds (distance) C4'-P energy: -76.636
bonds (distance) P-C4' energy: -98.203
flat angles C4'-P-C4' energy: -97.707
flat angles P-C4'-P energy: -68.013
tors. eta vs tors. theta energy: -85.061
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: 5
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -1243.041841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.041841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.041841 (E_RNA)
where:
Base-Base interactions energy: -809.437
where: short stacking energy: -336.467
Base-Backbone interact. energy: -4.642
local terms energy: -428.962880
where:
bonds (distance) C4'-P energy: -90.742
bonds (distance) P-C4' energy: -91.471
flat angles C4'-P-C4' energy: -110.353
flat angles P-C4'-P energy: -60.607
tors. eta vs tors. theta energy: -75.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -1168.784139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1168.784139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1168.784139 (E_RNA)
where:
Base-Base interactions energy: -777.879
where: short stacking energy: -341.113
Base-Backbone interact. energy: 5.577
local terms energy: -396.482541
where:
bonds (distance) C4'-P energy: -78.730
bonds (distance) P-C4' energy: -90.843
flat angles C4'-P-C4' energy: -80.638
flat angles P-C4'-P energy: -63.618
tors. eta vs tors. theta energy: -82.654
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: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -771.018295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.018295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.018295 (E_RNA)
where:
Base-Base interactions energy: -470.591
where: short stacking energy: -233.206
Base-Backbone interact. energy: -0.257
local terms energy: -300.169637
where:
bonds (distance) C4'-P energy: -73.685
bonds (distance) P-C4' energy: -69.737
flat angles C4'-P-C4' energy: -85.488
flat angles P-C4'-P energy: -44.085
tors. eta vs tors. theta energy: -27.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -1965.066805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.066805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.066805 (E_RNA)
where:
Base-Base interactions energy: -1386.681
where: short stacking energy: -554.384
Base-Backbone interact. energy: 0.986
local terms energy: -579.371355
where:
bonds (distance) C4'-P energy: -112.825
bonds (distance) P-C4' energy: -107.542
flat angles C4'-P-C4' energy: -114.803
flat angles P-C4'-P energy: -86.811
tors. eta vs tors. theta energy: -157.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -1866.834509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1866.834509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1866.834509 (E_RNA)
where:
Base-Base interactions energy: -1322.560
where: short stacking energy: -519.361
Base-Backbone interact. energy: 0.018
local terms energy: -544.292346
where:
bonds (distance) C4'-P energy: -106.901
bonds (distance) P-C4' energy: -97.480
flat angles C4'-P-C4' energy: -126.005
flat angles P-C4'-P energy: -66.486
tors. eta vs tors. theta energy: -147.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -1824.591963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.591963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.591963 (E_RNA)
where:
Base-Base interactions energy: -1306.131
where: short stacking energy: -549.516
Base-Backbone interact. energy: -3.227
local terms energy: -515.233141
where:
bonds (distance) C4'-P energy: -78.724
bonds (distance) P-C4' energy: -92.412
flat angles C4'-P-C4' energy: -116.200
flat angles P-C4'-P energy: -78.547
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: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -1759.741334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.741334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.741334 (E_RNA)
where:
Base-Base interactions energy: -1248.569
where: short stacking energy: -504.324
Base-Backbone interact. energy: -3.609
local terms energy: -507.563279
where:
bonds (distance) C4'-P energy: -96.237
bonds (distance) P-C4' energy: -88.501
flat angles C4'-P-C4' energy: -114.999
flat angles P-C4'-P energy: -68.192
tors. eta vs tors. theta energy: -139.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -1635.388179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.388179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.388179 (E_RNA)
where:
Base-Base interactions energy: -1137.474
where: short stacking energy: -463.822
Base-Backbone interact. energy: -1.136
local terms energy: -496.778907
where:
bonds (distance) C4'-P energy: -87.880
bonds (distance) P-C4' energy: -98.220
flat angles C4'-P-C4' energy: -105.736
flat angles P-C4'-P energy: -67.884
tors. eta vs tors. theta energy: -137.058
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: 9
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -1468.949139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1468.949139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1468.949139 (E_RNA)
where:
Base-Base interactions energy: -1012.680
where: short stacking energy: -447.307
Base-Backbone interact. energy: -0.479
local terms energy: -455.790254
where:
bonds (distance) C4'-P energy: -89.371
bonds (distance) P-C4' energy: -94.265
flat angles C4'-P-C4' energy: -90.168
flat angles P-C4'-P energy: -64.792
tors. eta vs tors. theta energy: -117.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -1362.924167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1362.924167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1362.924167 (E_RNA)
where:
Base-Base interactions energy: -962.018
where: short stacking energy: -379.680
Base-Backbone interact. energy: 3.415
local terms energy: -404.320733
where:
bonds (distance) C4'-P energy: -85.654
bonds (distance) P-C4' energy: -92.361
flat angles C4'-P-C4' energy: -89.485
flat angles P-C4'-P energy: -49.876
tors. eta vs tors. theta energy: -86.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -1263.774911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.774911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.774911 (E_RNA)
where:
Base-Base interactions energy: -880.945
where: short stacking energy: -363.978
Base-Backbone interact. energy: 1.018
local terms energy: -383.847803
where:
bonds (distance) C4'-P energy: -58.296
bonds (distance) P-C4' energy: -94.897
flat angles C4'-P-C4' energy: -88.397
flat angles P-C4'-P energy: -59.873
tors. eta vs tors. theta energy: -82.386
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: 6
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -1177.521945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.521945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.521945 (E_RNA)
where:
Base-Base interactions energy: -799.710
where: short stacking energy: -325.708
Base-Backbone interact. energy: -0.039
local terms energy: -377.772939
where:
bonds (distance) C4'-P energy: -81.778
bonds (distance) P-C4' energy: -88.107
flat angles C4'-P-C4' energy: -82.970
flat angles P-C4'-P energy: -58.778
tors. eta vs tors. theta energy: -66.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -761.588649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.588649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.588649 (E_RNA)
where:
Base-Base interactions energy: -494.240
where: short stacking energy: -236.191
Base-Backbone interact. energy: 1.598
local terms energy: -268.947131
where:
bonds (distance) C4'-P energy: -62.966
bonds (distance) P-C4' energy: -74.264
flat angles C4'-P-C4' energy: -88.728
flat angles P-C4'-P energy: -23.438
tors. eta vs tors. theta energy: -19.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -1949.144476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.144476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.144476 (E_RNA)
where:
Base-Base interactions energy: -1392.493
where: short stacking energy: -553.237
Base-Backbone interact. energy: -3.785
local terms energy: -552.866693
where:
bonds (distance) C4'-P energy: -93.238
bonds (distance) P-C4' energy: -99.757
flat angles C4'-P-C4' energy: -117.088
flat angles P-C4'-P energy: -86.112
tors. eta vs tors. theta energy: -156.672
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: 1
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -1895.758580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.758580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.758580 (E_RNA)
where:
Base-Base interactions energy: -1343.351
where: short stacking energy: -541.544
Base-Backbone interact. energy: -0.546
local terms energy: -551.861592
where:
bonds (distance) C4'-P energy: -94.382
bonds (distance) P-C4' energy: -103.637
flat angles C4'-P-C4' energy: -117.909
flat angles P-C4'-P energy: -82.496
tors. eta vs tors. theta energy: -153.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -1812.910131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.910131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.910131 (E_RNA)
where:
Base-Base interactions energy: -1278.667
where: short stacking energy: -523.781
Base-Backbone interact. energy: -0.978
local terms energy: -533.264349
where:
bonds (distance) C4'-P energy: -104.762
bonds (distance) P-C4' energy: -97.881
flat angles C4'-P-C4' energy: -114.522
flat angles P-C4'-P energy: -74.888
tors. eta vs tors. theta energy: -141.212
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: 4, replica: 4
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -1793.536943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.536943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.536943 (E_RNA)
where:
Base-Base interactions energy: -1269.566
where: short stacking energy: -510.398
Base-Backbone interact. energy: -1.016
local terms energy: -522.954432
where:
bonds (distance) C4'-P energy: -86.026
bonds (distance) P-C4' energy: -102.405
flat angles C4'-P-C4' energy: -111.960
flat angles P-C4'-P energy: -83.139
tors. eta vs tors. theta energy: -139.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -1635.398586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.398586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.398586 (E_RNA)
where:
Base-Base interactions energy: -1145.605
where: short stacking energy: -467.254
Base-Backbone interact. energy: 3.559
local terms energy: -493.352826
where:
bonds (distance) C4'-P energy: -92.377
bonds (distance) P-C4' energy: -87.695
flat angles C4'-P-C4' energy: -107.923
flat angles P-C4'-P energy: -70.096
tors. eta vs tors. theta energy: -135.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -1476.420814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.420814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.420814 (E_RNA)
where:
Base-Base interactions energy: -1006.881
where: short stacking energy: -427.581
Base-Backbone interact. energy: -0.900
local terms energy: -468.639692
where:
bonds (distance) C4'-P energy: -65.235
bonds (distance) P-C4' energy: -100.388
flat angles C4'-P-C4' energy: -107.661
flat angles P-C4'-P energy: -75.060
tors. eta vs tors. theta energy: -120.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -1344.297677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1344.297677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1344.297677 (E_RNA)
where:
Base-Base interactions energy: -916.220
where: short stacking energy: -410.266
Base-Backbone interact. energy: -1.388
local terms energy: -426.689678
where:
bonds (distance) C4'-P energy: -92.255
bonds (distance) P-C4' energy: -89.390
flat angles C4'-P-C4' energy: -91.402
flat angles P-C4'-P energy: -66.842
tors. eta vs tors. theta energy: -86.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -1289.543587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.543587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.543587 (E_RNA)
where:
Base-Base interactions energy: -881.339
where: short stacking energy: -369.784
Base-Backbone interact. energy: -1.001
local terms energy: -407.203571
where:
bonds (distance) C4'-P energy: -82.655
bonds (distance) P-C4' energy: -89.829
flat angles C4'-P-C4' energy: -92.229
flat angles P-C4'-P energy: -56.489
tors. eta vs tors. theta energy: -86.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -1227.740166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.740166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.740166 (E_RNA)
where:
Base-Base interactions energy: -832.780
where: short stacking energy: -354.866
Base-Backbone interact. energy: 2.179
local terms energy: -397.139584
where:
bonds (distance) C4'-P energy: -81.251
bonds (distance) P-C4' energy: -91.205
flat angles C4'-P-C4' energy: -98.646
flat angles P-C4'-P energy: -45.725
tors. eta vs tors. theta energy: -80.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -842.148777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.148777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.148777 (E_RNA)
where:
Base-Base interactions energy: -508.172
where: short stacking energy: -239.528
Base-Backbone interact. energy: -2.180
local terms energy: -331.796189
where:
bonds (distance) C4'-P energy: -67.583
bonds (distance) P-C4' energy: -79.995
flat angles C4'-P-C4' energy: -96.058
flat angles P-C4'-P energy: -47.903
tors. eta vs tors. theta energy: -40.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -1951.499774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.499774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.499774 (E_RNA)
where:
Base-Base interactions energy: -1381.925
where: short stacking energy: -544.377
Base-Backbone interact. energy: -2.925
local terms energy: -566.649959
where:
bonds (distance) C4'-P energy: -108.911
bonds (distance) P-C4' energy: -100.596
flat angles C4'-P-C4' energy: -119.487
flat angles P-C4'-P energy: -84.696
tors. eta vs tors. theta energy: -152.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -1858.579241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.579241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.579241 (E_RNA)
where:
Base-Base interactions energy: -1325.674
where: short stacking energy: -535.687
Base-Backbone interact. energy: 0.273
local terms energy: -533.178472
where:
bonds (distance) C4'-P energy: -104.008
bonds (distance) P-C4' energy: -111.626
flat angles C4'-P-C4' energy: -112.079
flat angles P-C4'-P energy: -72.169
tors. eta vs tors. theta energy: -133.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -1793.248852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.248852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.248852 (E_RNA)
where:
Base-Base interactions energy: -1248.665
where: short stacking energy: -504.176
Base-Backbone interact. energy: -2.443
local terms energy: -542.140321
where:
bonds (distance) C4'-P energy: -107.534
bonds (distance) P-C4' energy: -93.596
flat angles C4'-P-C4' energy: -107.058
flat angles P-C4'-P energy: -85.156
tors. eta vs tors. theta energy: -148.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -1737.426511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.426511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.426511 (E_RNA)
where:
Base-Base interactions energy: -1228.286
where: short stacking energy: -501.273
Base-Backbone interact. energy: 0.792
local terms energy: -509.933160
where:
bonds (distance) C4'-P energy: -93.514
bonds (distance) P-C4' energy: -103.955
flat angles C4'-P-C4' energy: -101.506
flat angles P-C4'-P energy: -80.942
tors. eta vs tors. theta energy: -130.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -1623.522249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.522249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.522249 (E_RNA)
where:
Base-Base interactions energy: -1140.383
where: short stacking energy: -474.915
Base-Backbone interact. energy: 1.974
local terms energy: -485.113304
where:
bonds (distance) C4'-P energy: -96.065
bonds (distance) P-C4' energy: -100.043
flat angles C4'-P-C4' energy: -106.140
flat angles P-C4'-P energy: -59.705
tors. eta vs tors. theta energy: -123.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -1486.673148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.673148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.673148 (E_RNA)
where:
Base-Base interactions energy: -1024.135
where: short stacking energy: -444.047
Base-Backbone interact. energy: -2.343
local terms energy: -460.194553
where:
bonds (distance) C4'-P energy: -92.214
bonds (distance) P-C4' energy: -90.747
flat angles C4'-P-C4' energy: -98.674
flat angles P-C4'-P energy: -68.907
tors. eta vs tors. theta energy: -109.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -1340.873639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.873639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.873639 (E_RNA)
where:
Base-Base interactions energy: -939.709
where: short stacking energy: -403.360
Base-Backbone interact. energy: 6.120
local terms energy: -407.285220
where:
bonds (distance) C4'-P energy: -87.676
bonds (distance) P-C4' energy: -75.689
flat angles C4'-P-C4' energy: -89.387
flat angles P-C4'-P energy: -57.090
tors. eta vs tors. theta energy: -97.442
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: 8, replica: 7
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -1291.868484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.868484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.868484 (E_RNA)
where:
Base-Base interactions energy: -895.436
where: short stacking energy: -363.935
Base-Backbone interact. energy: 0.160
local terms energy: -396.592871
where:
bonds (distance) C4'-P energy: -80.507
bonds (distance) P-C4' energy: -83.954
flat angles C4'-P-C4' energy: -87.169
flat angles P-C4'-P energy: -60.137
tors. eta vs tors. theta energy: -84.826
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: 6
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -1250.426141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1250.426141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1250.426141 (E_RNA)
where:
Base-Base interactions energy: -820.776
where: short stacking energy: -360.827
Base-Backbone interact. energy: -0.192
local terms energy: -429.458059
where:
bonds (distance) C4'-P energy: -81.147
bonds (distance) P-C4' energy: -99.915
flat angles C4'-P-C4' energy: -97.441
flat angles P-C4'-P energy: -61.353
tors. eta vs tors. theta energy: -89.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -819.634774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.634774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.634774 (E_RNA)
where:
Base-Base interactions energy: -506.360
where: short stacking energy: -237.998
Base-Backbone interact. energy: -0.267
local terms energy: -313.007751
where:
bonds (distance) C4'-P energy: -72.294
bonds (distance) P-C4' energy: -87.318
flat angles C4'-P-C4' energy: -73.174
flat angles P-C4'-P energy: -39.276
tors. eta vs tors. theta energy: -40.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -1957.861768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.861768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.861768 (E_RNA)
where:
Base-Base interactions energy: -1404.090
where: short stacking energy: -554.284
Base-Backbone interact. energy: -4.685
local terms energy: -549.086962
where:
bonds (distance) C4'-P energy: -96.769
bonds (distance) P-C4' energy: -88.127
flat angles C4'-P-C4' energy: -124.253
flat angles P-C4'-P energy: -82.688
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: 2, replica: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -1892.443075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.443075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.443075 (E_RNA)
where:
Base-Base interactions energy: -1345.128
where: short stacking energy: -551.357
Base-Backbone interact. energy: -2.107
local terms energy: -545.207797
where:
bonds (distance) C4'-P energy: -93.687
bonds (distance) P-C4' energy: -100.274
flat angles C4'-P-C4' energy: -119.097
flat angles P-C4'-P energy: -67.571
tors. eta vs tors. theta energy: -164.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -1788.739277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1788.739277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1788.739277 (E_RNA)
where:
Base-Base interactions energy: -1265.806
where: short stacking energy: -520.764
Base-Backbone interact. energy: -2.617
local terms energy: -520.315759
where:
bonds (distance) C4'-P energy: -93.963
bonds (distance) P-C4' energy: -101.605
flat angles C4'-P-C4' energy: -100.925
flat angles P-C4'-P energy: -75.707
tors. eta vs tors. theta energy: -148.116
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: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -1722.090704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.090704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.090704 (E_RNA)
where:
Base-Base interactions energy: -1234.711
where: short stacking energy: -483.539
Base-Backbone interact. energy: -1.921
local terms energy: -485.459457
where:
bonds (distance) C4'-P energy: -85.525
bonds (distance) P-C4' energy: -99.508
flat angles C4'-P-C4' energy: -104.394
flat angles P-C4'-P energy: -73.036
tors. eta vs tors. theta energy: -122.996
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: 3
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -1635.801273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.801273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.801273 (E_RNA)
where:
Base-Base interactions energy: -1158.112
where: short stacking energy: -464.717
Base-Backbone interact. energy: -0.903
local terms energy: -476.786372
where:
bonds (distance) C4'-P energy: -85.255
bonds (distance) P-C4' energy: -83.031
flat angles C4'-P-C4' energy: -110.659
flat angles P-C4'-P energy: -76.986
tors. eta vs tors. theta energy: -120.856
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: 9
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -1481.402432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.402432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.402432 (E_RNA)
where:
Base-Base interactions energy: -1027.505
where: short stacking energy: -426.943
Base-Backbone interact. energy: -1.393
local terms energy: -452.504359
where:
bonds (distance) C4'-P energy: -88.035
bonds (distance) P-C4' energy: -99.212
flat angles C4'-P-C4' energy: -102.395
flat angles P-C4'-P energy: -64.230
tors. eta vs tors. theta energy: -98.632
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: 5
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -1354.465229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.465229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.465229 (E_RNA)
where:
Base-Base interactions energy: -930.529
where: short stacking energy: -382.241
Base-Backbone interact. energy: -1.901
local terms energy: -422.035268
where:
bonds (distance) C4'-P energy: -80.579
bonds (distance) P-C4' energy: -86.941
flat angles C4'-P-C4' energy: -94.072
flat angles P-C4'-P energy: -70.915
tors. eta vs tors. theta energy: -89.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -1267.533788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.533788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.533788 (E_RNA)
where:
Base-Base interactions energy: -863.194
where: short stacking energy: -379.762
Base-Backbone interact. energy: 0.668
local terms energy: -405.008116
where:
bonds (distance) C4'-P energy: -71.954
bonds (distance) P-C4' energy: -95.986
flat angles C4'-P-C4' energy: -93.872
flat angles P-C4'-P energy: -50.253
tors. eta vs tors. theta energy: -92.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -1260.685359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1260.685359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1260.685359 (E_RNA)
where:
Base-Base interactions energy: -891.490
where: short stacking energy: -354.282
Base-Backbone interact. energy: -1.626
local terms energy: -367.569378
where:
bonds (distance) C4'-P energy: -68.898
bonds (distance) P-C4' energy: -66.728
flat angles C4'-P-C4' energy: -98.721
flat angles P-C4'-P energy: -59.404
tors. eta vs tors. theta energy: -73.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -812.971847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -812.971847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -812.971847 (E_RNA)
where:
Base-Base interactions energy: -515.209
where: short stacking energy: -254.426
Base-Backbone interact. energy: 1.637
local terms energy: -299.399611
where:
bonds (distance) C4'-P energy: -74.018
bonds (distance) P-C4' energy: -82.893
flat angles C4'-P-C4' energy: -78.570
flat angles P-C4'-P energy: -30.695
tors. eta vs tors. theta energy: -33.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -1948.702203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.702203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.702203 (E_RNA)
where:
Base-Base interactions energy: -1368.699
where: short stacking energy: -552.594
Base-Backbone interact. energy: -5.063
local terms energy: -574.940311
where:
bonds (distance) C4'-P energy: -113.859
bonds (distance) P-C4' energy: -109.068
flat angles C4'-P-C4' energy: -126.927
flat angles P-C4'-P energy: -69.651
tors. eta vs tors. theta energy: -155.436
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: 2, replica: 1
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -1869.028586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.028586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.028586 (E_RNA)
where:
Base-Base interactions energy: -1313.533
where: short stacking energy: -552.590
Base-Backbone interact. energy: 2.752
local terms energy: -558.247384
where:
bonds (distance) C4'-P energy: -99.175
bonds (distance) P-C4' energy: -108.976
flat angles C4'-P-C4' energy: -119.559
flat angles P-C4'-P energy: -81.330
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: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -1797.125190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.125190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.125190 (E_RNA)
where:
Base-Base interactions energy: -1272.642
where: short stacking energy: -518.117
Base-Backbone interact. energy: 2.309
local terms energy: -526.792025
where:
bonds (distance) C4'-P energy: -91.769
bonds (distance) P-C4' energy: -107.039
flat angles C4'-P-C4' energy: -107.024
flat angles P-C4'-P energy: -84.986
tors. eta vs tors. theta energy: -135.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -1702.923684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.923684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.923684 (E_RNA)
where:
Base-Base interactions energy: -1185.081
where: short stacking energy: -503.555
Base-Backbone interact. energy: -3.638
local terms energy: -514.204986
where:
bonds (distance) C4'-P energy: -94.857
bonds (distance) P-C4' energy: -91.511
flat angles C4'-P-C4' energy: -119.348
flat angles P-C4'-P energy: -72.143
tors. eta vs tors. theta energy: -136.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -1608.401743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1608.401743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1608.401743 (E_RNA)
where:
Base-Base interactions energy: -1155.523
where: short stacking energy: -473.644
Base-Backbone interact. energy: 2.820
local terms energy: -455.698656
where:
bonds (distance) C4'-P energy: -77.380
bonds (distance) P-C4' energy: -89.237
flat angles C4'-P-C4' energy: -106.085
flat angles P-C4'-P energy: -61.003
tors. eta vs tors. theta energy: -121.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -1449.004455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1449.004455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1449.004455 (E_RNA)
where:
Base-Base interactions energy: -980.660
where: short stacking energy: -415.181
Base-Backbone interact. energy: -4.810
local terms energy: -463.534420
where:
bonds (distance) C4'-P energy: -95.058
bonds (distance) P-C4' energy: -90.852
flat angles C4'-P-C4' energy: -113.479
flat angles P-C4'-P energy: -60.253
tors. eta vs tors. theta energy: -103.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -1317.681560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1317.681560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1317.681560 (E_RNA)
where:
Base-Base interactions energy: -891.630
where: short stacking energy: -394.371
Base-Backbone interact. energy: -0.993
local terms energy: -425.058140
where:
bonds (distance) C4'-P energy: -92.481
bonds (distance) P-C4' energy: -77.461
flat angles C4'-P-C4' energy: -101.006
flat angles P-C4'-P energy: -59.633
tors. eta vs tors. theta energy: -94.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -1259.420215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.420215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.420215 (E_RNA)
where:
Base-Base interactions energy: -859.489
where: short stacking energy: -371.766
Base-Backbone interact. energy: -0.354
local terms energy: -399.577063
where:
bonds (distance) C4'-P energy: -81.158
bonds (distance) P-C4' energy: -83.548
flat angles C4'-P-C4' energy: -84.618
flat angles P-C4'-P energy: -65.130
tors. eta vs tors. theta energy: -85.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -1252.180554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.180554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.180554 (E_RNA)
where:
Base-Base interactions energy: -886.637
where: short stacking energy: -362.580
Base-Backbone interact. energy: 12.622
local terms energy: -378.165689
where:
bonds (distance) C4'-P energy: -81.060
bonds (distance) P-C4' energy: -93.864
flat angles C4'-P-C4' energy: -74.821
flat angles P-C4'-P energy: -59.900
tors. eta vs tors. theta energy: -68.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -770.140488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.140488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.140488 (E_RNA)
where:
Base-Base interactions energy: -458.357
where: short stacking energy: -234.805
Base-Backbone interact. energy: 2.886
local terms energy: -314.669220
where:
bonds (distance) C4'-P energy: -78.068
bonds (distance) P-C4' energy: -72.550
flat angles C4'-P-C4' energy: -80.911
flat angles P-C4'-P energy: -52.791
tors. eta vs tors. theta energy: -30.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -1924.363020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.363020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.363020 (E_RNA)
where:
Base-Base interactions energy: -1375.355
where: short stacking energy: -542.157
Base-Backbone interact. energy: -3.164
local terms energy: -545.844454
where:
bonds (distance) C4'-P energy: -95.304
bonds (distance) P-C4' energy: -117.445
flat angles C4'-P-C4' energy: -120.905
flat angles P-C4'-P energy: -65.076
tors. eta vs tors. theta energy: -147.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -1837.960167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.960167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.960167 (E_RNA)
where:
Base-Base interactions energy: -1297.008
where: short stacking energy: -542.770
Base-Backbone interact. energy: 0.447
local terms energy: -541.399172
where:
bonds (distance) C4'-P energy: -91.534
bonds (distance) P-C4' energy: -110.049
flat angles C4'-P-C4' energy: -113.265
flat angles P-C4'-P energy: -77.333
tors. eta vs tors. theta energy: -149.218
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: 1
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -1839.359146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1839.359146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1839.359146 (E_RNA)
where:
Base-Base interactions energy: -1302.418
where: short stacking energy: -522.906
Base-Backbone interact. energy: 0.011
local terms energy: -536.951820
where:
bonds (distance) C4'-P energy: -86.914
bonds (distance) P-C4' energy: -99.133
flat angles C4'-P-C4' energy: -122.942
flat angles P-C4'-P energy: -70.679
tors. eta vs tors. theta energy: -157.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -1720.381438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.381438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.381438 (E_RNA)
where:
Base-Base interactions energy: -1199.388
where: short stacking energy: -472.782
Base-Backbone interact. energy: -3.720
local terms energy: -517.272824
where:
bonds (distance) C4'-P energy: -92.772
bonds (distance) P-C4' energy: -109.021
flat angles C4'-P-C4' energy: -119.765
flat angles P-C4'-P energy: -69.029
tors. eta vs tors. theta energy: -126.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -1605.867967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.867967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.867967 (E_RNA)
where:
Base-Base interactions energy: -1137.195
where: short stacking energy: -457.877
Base-Backbone interact. energy: -4.553
local terms energy: -464.120264
where:
bonds (distance) C4'-P energy: -88.121
bonds (distance) P-C4' energy: -97.540
flat angles C4'-P-C4' energy: -94.210
flat angles P-C4'-P energy: -65.313
tors. eta vs tors. theta energy: -118.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -1453.464255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.464255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.464255 (E_RNA)
where:
Base-Base interactions energy: -996.581
where: short stacking energy: -425.566
Base-Backbone interact. energy: 1.210
local terms energy: -458.092764
where:
bonds (distance) C4'-P energy: -89.642
bonds (distance) P-C4' energy: -94.931
flat angles C4'-P-C4' energy: -107.657
flat angles P-C4'-P energy: -55.860
tors. eta vs tors. theta energy: -110.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -1346.375717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.375717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.375717 (E_RNA)
where:
Base-Base interactions energy: -905.062
where: short stacking energy: -373.806
Base-Backbone interact. energy: -0.213
local terms energy: -441.100786
where:
bonds (distance) C4'-P energy: -84.183
bonds (distance) P-C4' energy: -90.275
flat angles C4'-P-C4' energy: -107.752
flat angles P-C4'-P energy: -65.895
tors. eta vs tors. theta energy: -92.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -1267.559410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.559410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.559410 (E_RNA)
where:
Base-Base interactions energy: -864.699
where: short stacking energy: -360.672
Base-Backbone interact. energy: 2.322
local terms energy: -405.183191
where:
bonds (distance) C4'-P energy: -89.069
bonds (distance) P-C4' energy: -85.959
flat angles C4'-P-C4' energy: -95.559
flat angles P-C4'-P energy: -55.644
tors. eta vs tors. theta energy: -78.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -1209.849185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.849185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.849185 (E_RNA)
where:
Base-Base interactions energy: -816.386
where: short stacking energy: -347.511
Base-Backbone interact. energy: -1.951
local terms energy: -391.511631
where:
bonds (distance) C4'-P energy: -90.052
bonds (distance) P-C4' energy: -94.257
flat angles C4'-P-C4' energy: -90.445
flat angles P-C4'-P energy: -52.518
tors. eta vs tors. theta energy: -64.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -769.065550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -769.065550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -769.065550 (E_RNA)
where:
Base-Base interactions energy: -458.557
where: short stacking energy: -206.853
Base-Backbone interact. energy: -0.247
local terms energy: -310.261373
where:
bonds (distance) C4'-P energy: -81.393
bonds (distance) P-C4' energy: -88.303
flat angles C4'-P-C4' energy: -69.313
flat angles P-C4'-P energy: -42.127
tors. eta vs tors. theta energy: -29.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -1945.674522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.674522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.674522 (E_RNA)
where:
Base-Base interactions energy: -1403.051
where: short stacking energy: -565.850
Base-Backbone interact. energy: -2.256
local terms energy: -540.367662
where:
bonds (distance) C4'-P energy: -97.628
bonds (distance) P-C4' energy: -92.451
flat angles C4'-P-C4' energy: -113.500
flat angles P-C4'-P energy: -79.335
tors. eta vs tors. theta energy: -157.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -1856.313977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.313977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.313977 (E_RNA)
where:
Base-Base interactions energy: -1311.984
where: short stacking energy: -533.006
Base-Backbone interact. energy: 0.789
local terms energy: -545.118809
where:
bonds (distance) C4'-P energy: -105.398
bonds (distance) P-C4' energy: -99.252
flat angles C4'-P-C4' energy: -115.470
flat angles P-C4'-P energy: -78.977
tors. eta vs tors. theta energy: -146.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -1805.980825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1805.980825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1805.980825 (E_RNA)
where:
Base-Base interactions energy: -1265.304
where: short stacking energy: -531.339
Base-Backbone interact. energy: 0.518
local terms energy: -541.194845
where:
bonds (distance) C4'-P energy: -102.652
bonds (distance) P-C4' energy: -88.656
flat angles C4'-P-C4' energy: -114.151
flat angles P-C4'-P energy: -88.920
tors. eta vs tors. theta energy: -146.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -1750.666708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.666708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.666708 (E_RNA)
where:
Base-Base interactions energy: -1210.026
where: short stacking energy: -474.676
Base-Backbone interact. energy: -2.699
local terms energy: -537.942641
where:
bonds (distance) C4'-P energy: -101.805
bonds (distance) P-C4' energy: -103.111
flat angles C4'-P-C4' energy: -115.198
flat angles P-C4'-P energy: -81.837
tors. eta vs tors. theta energy: -135.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -1634.076786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.076786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.076786 (E_RNA)
where:
Base-Base interactions energy: -1172.438
where: short stacking energy: -476.604
Base-Backbone interact. energy: -2.247
local terms energy: -459.391399
where:
bonds (distance) C4'-P energy: -78.224
bonds (distance) P-C4' energy: -83.010
flat angles C4'-P-C4' energy: -103.117
flat angles P-C4'-P energy: -70.189
tors. eta vs tors. theta energy: -124.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -1496.935686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.935686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.935686 (E_RNA)
where:
Base-Base interactions energy: -1035.266
where: short stacking energy: -423.825
Base-Backbone interact. energy: 0.489
local terms energy: -462.159068
where:
bonds (distance) C4'-P energy: -82.479
bonds (distance) P-C4' energy: -102.163
flat angles C4'-P-C4' energy: -108.656
flat angles P-C4'-P energy: -66.103
tors. eta vs tors. theta energy: -102.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -1368.994018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.994018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.994018 (E_RNA)
where:
Base-Base interactions energy: -932.694
where: short stacking energy: -391.201
Base-Backbone interact. energy: -1.303
local terms energy: -434.996791
where:
bonds (distance) C4'-P energy: -81.294
bonds (distance) P-C4' energy: -101.242
flat angles C4'-P-C4' energy: -98.998
flat angles P-C4'-P energy: -57.444
tors. eta vs tors. theta energy: -96.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -1298.098210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.098210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.098210 (E_RNA)
where:
Base-Base interactions energy: -878.516
where: short stacking energy: -362.793
Base-Backbone interact. energy: -2.905
local terms energy: -416.677725
where:
bonds (distance) C4'-P energy: -87.586
bonds (distance) P-C4' energy: -83.116
flat angles C4'-P-C4' energy: -99.292
flat angles P-C4'-P energy: -61.397
tors. eta vs tors. theta energy: -85.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -1184.102693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.102693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.102693 (E_RNA)
where:
Base-Base interactions energy: -787.274
where: short stacking energy: -327.490
Base-Backbone interact. energy: -1.706
local terms energy: -395.122907
where:
bonds (distance) C4'-P energy: -79.747
bonds (distance) P-C4' energy: -92.716
flat angles C4'-P-C4' energy: -92.092
flat angles P-C4'-P energy: -58.295
tors. eta vs tors. theta energy: -72.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -755.277241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.277241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.277241 (E_RNA)
where:
Base-Base interactions energy: -453.205
where: short stacking energy: -228.221
Base-Backbone interact. energy: -2.124
local terms energy: -299.947683
where:
bonds (distance) C4'-P energy: -66.590
bonds (distance) P-C4' energy: -93.317
flat angles C4'-P-C4' energy: -78.307
flat angles P-C4'-P energy: -42.822
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -1952.884763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.884763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.884763 (E_RNA)
where:
Base-Base interactions energy: -1406.221
where: short stacking energy: -552.435
Base-Backbone interact. energy: 0.432
local terms energy: -547.096513
where:
bonds (distance) C4'-P energy: -112.132
bonds (distance) P-C4' energy: -88.841
flat angles C4'-P-C4' energy: -115.685
flat angles P-C4'-P energy: -76.010
tors. eta vs tors. theta energy: -154.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -1868.823376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.823376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.823376 (E_RNA)
where:
Base-Base interactions energy: -1314.520
where: short stacking energy: -547.024
Base-Backbone interact. energy: -2.018
local terms energy: -552.285528
where:
bonds (distance) C4'-P energy: -110.637
bonds (distance) P-C4' energy: -93.183
flat angles C4'-P-C4' energy: -114.227
flat angles P-C4'-P energy: -82.602
tors. eta vs tors. theta energy: -151.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -1833.578858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.578858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.578858 (E_RNA)
where:
Base-Base interactions energy: -1303.351
where: short stacking energy: -530.645
Base-Backbone interact. energy: -1.566
local terms energy: -528.661089
where:
bonds (distance) C4'-P energy: -103.026
bonds (distance) P-C4' energy: -95.760
flat angles C4'-P-C4' energy: -106.592
flat angles P-C4'-P energy: -71.157
tors. eta vs tors. theta energy: -152.125
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: 8
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -1771.120401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.120401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.120401 (E_RNA)
where:
Base-Base interactions energy: -1234.477
where: short stacking energy: -519.728
Base-Backbone interact. energy: -3.499
local terms energy: -533.144449
where:
bonds (distance) C4'-P energy: -108.929
bonds (distance) P-C4' energy: -94.271
flat angles C4'-P-C4' energy: -119.129
flat angles P-C4'-P energy: -69.630
tors. eta vs tors. theta energy: -141.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -1661.935208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.935208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.935208 (E_RNA)
where:
Base-Base interactions energy: -1178.240
where: short stacking energy: -476.099
Base-Backbone interact. energy: 1.902
local terms energy: -485.597257
where:
bonds (distance) C4'-P energy: -89.209
bonds (distance) P-C4' energy: -88.041
flat angles C4'-P-C4' energy: -116.652
flat angles P-C4'-P energy: -67.142
tors. eta vs tors. theta energy: -124.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -1445.445436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1445.445436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1445.445436 (E_RNA)
where:
Base-Base interactions energy: -999.291
where: short stacking energy: -418.669
Base-Backbone interact. energy: -1.172
local terms energy: -444.982554
where:
bonds (distance) C4'-P energy: -69.740
bonds (distance) P-C4' energy: -87.770
flat angles C4'-P-C4' energy: -101.937
flat angles P-C4'-P energy: -79.676
tors. eta vs tors. theta energy: -105.859
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: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -1392.380885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.380885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.380885 (E_RNA)
where:
Base-Base interactions energy: -921.448
where: short stacking energy: -408.931
Base-Backbone interact. energy: 0.234
local terms energy: -471.167612
where:
bonds (distance) C4'-P energy: -98.881
bonds (distance) P-C4' energy: -96.899
flat angles C4'-P-C4' energy: -95.956
flat angles P-C4'-P energy: -72.443
tors. eta vs tors. theta energy: -106.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -1279.453951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.453951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.453951 (E_RNA)
where:
Base-Base interactions energy: -868.826
where: short stacking energy: -349.340
Base-Backbone interact. energy: -3.806
local terms energy: -406.822399
where:
bonds (distance) C4'-P energy: -93.215
bonds (distance) P-C4' energy: -87.585
flat angles C4'-P-C4' energy: -87.244
flat angles P-C4'-P energy: -60.602
tors. eta vs tors. theta energy: -78.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -1247.997066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1247.997066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1247.997066 (E_RNA)
where:
Base-Base interactions energy: -845.410
where: short stacking energy: -353.056
Base-Backbone interact. energy: -2.293
local terms energy: -400.294674
where:
bonds (distance) C4'-P energy: -73.653
bonds (distance) P-C4' energy: -87.336
flat angles C4'-P-C4' energy: -90.873
flat angles P-C4'-P energy: -61.812
tors. eta vs tors. theta energy: -86.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -764.225299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.225299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.225299 (E_RNA)
where:
Base-Base interactions energy: -479.099
where: short stacking energy: -193.737
Base-Backbone interact. energy: -2.738
local terms energy: -282.387884
where:
bonds (distance) C4'-P energy: -71.694
bonds (distance) P-C4' energy: -85.446
flat angles C4'-P-C4' energy: -81.895
flat angles P-C4'-P energy: -33.984
tors. eta vs tors. theta energy: -9.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -1927.123818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.123818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.123818 (E_RNA)
where:
Base-Base interactions energy: -1363.106
where: short stacking energy: -547.545
Base-Backbone interact. energy: -2.755
local terms energy: -561.262958
where:
bonds (distance) C4'-P energy: -108.459
bonds (distance) P-C4' energy: -92.744
flat angles C4'-P-C4' energy: -119.024
flat angles P-C4'-P energy: -86.718
tors. eta vs tors. theta energy: -154.318
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: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -1843.656102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.656102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.656102 (E_RNA)
where:
Base-Base interactions energy: -1318.092
where: short stacking energy: -526.526
Base-Backbone interact. energy: -3.450
local terms energy: -522.114092
where:
bonds (distance) C4'-P energy: -82.986
bonds (distance) P-C4' energy: -109.054
flat angles C4'-P-C4' energy: -116.377
flat angles P-C4'-P energy: -77.051
tors. eta vs tors. theta energy: -136.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -1857.874137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.874137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.874137 (E_RNA)
where:
Base-Base interactions energy: -1329.687
where: short stacking energy: -532.469
Base-Backbone interact. energy: 2.084
local terms energy: -530.270957
where:
bonds (distance) C4'-P energy: -97.159
bonds (distance) P-C4' energy: -93.879
flat angles C4'-P-C4' energy: -102.165
flat angles P-C4'-P energy: -87.718
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: 4, replica: 8
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -1768.635611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.635611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.635611 (E_RNA)
where:
Base-Base interactions energy: -1274.688
where: short stacking energy: -515.147
Base-Backbone interact. energy: -2.805
local terms energy: -491.142802
where:
bonds (distance) C4'-P energy: -87.079
bonds (distance) P-C4' energy: -104.979
flat angles C4'-P-C4' energy: -103.670
flat angles P-C4'-P energy: -56.210
tors. eta vs tors. theta energy: -139.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -1629.681614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.681614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.681614 (E_RNA)
where:
Base-Base interactions energy: -1162.481
where: short stacking energy: -453.507
Base-Backbone interact. energy: -1.607
local terms energy: -465.593557
where:
bonds (distance) C4'-P energy: -87.289
bonds (distance) P-C4' energy: -77.224
flat angles C4'-P-C4' energy: -105.034
flat angles P-C4'-P energy: -74.017
tors. eta vs tors. theta energy: -122.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -1470.006810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.006810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.006810 (E_RNA)
where:
Base-Base interactions energy: -1039.856
where: short stacking energy: -446.483
Base-Backbone interact. energy: 0.767
local terms energy: -430.917142
where:
bonds (distance) C4'-P energy: -89.414
bonds (distance) P-C4' energy: -96.654
flat angles C4'-P-C4' energy: -89.341
flat angles P-C4'-P energy: -48.573
tors. eta vs tors. theta energy: -106.936
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: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -1408.431304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.431304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.431304 (E_RNA)
where:
Base-Base interactions energy: -976.795
where: short stacking energy: -399.929
Base-Backbone interact. energy: 0.085
local terms energy: -431.720997
where:
bonds (distance) C4'-P energy: -51.398
bonds (distance) P-C4' energy: -92.375
flat angles C4'-P-C4' energy: -98.843
flat angles P-C4'-P energy: -74.146
tors. eta vs tors. theta energy: -114.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -1296.737190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.737190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.737190 (E_RNA)
where:
Base-Base interactions energy: -907.044
where: short stacking energy: -377.853
Base-Backbone interact. energy: 1.817
local terms energy: -391.510702
where:
bonds (distance) C4'-P energy: -70.962
bonds (distance) P-C4' energy: -88.337
flat angles C4'-P-C4' energy: -90.408
flat angles P-C4'-P energy: -52.145
tors. eta vs tors. theta energy: -89.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -1193.527012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.527012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.527012 (E_RNA)
where:
Base-Base interactions energy: -787.895
where: short stacking energy: -339.751
Base-Backbone interact. energy: -0.264
local terms energy: -405.368101
where:
bonds (distance) C4'-P energy: -79.748
bonds (distance) P-C4' energy: -90.848
flat angles C4'-P-C4' energy: -100.706
flat angles P-C4'-P energy: -57.737
tors. eta vs tors. theta energy: -76.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -747.413687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -747.413687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -747.413687 (E_RNA)
where:
Base-Base interactions energy: -436.954
where: short stacking energy: -192.831
Base-Backbone interact. energy: 0.652
local terms energy: -311.111494
where:
bonds (distance) C4'-P energy: -80.592
bonds (distance) P-C4' energy: -83.784
flat angles C4'-P-C4' energy: -73.002
flat angles P-C4'-P energy: -47.720
tors. eta vs tors. theta energy: -26.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -1945.572142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.572142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.572142 (E_RNA)
where:
Base-Base interactions energy: -1393.841
where: short stacking energy: -547.470
Base-Backbone interact. energy: -4.066
local terms energy: -547.665338
where:
bonds (distance) C4'-P energy: -91.142
bonds (distance) P-C4' energy: -104.493
flat angles C4'-P-C4' energy: -119.884
flat angles P-C4'-P energy: -80.092
tors. eta vs tors. theta energy: -152.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -1871.496490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.496490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.496490 (E_RNA)
where:
Base-Base interactions energy: -1339.834
where: short stacking energy: -543.528
Base-Backbone interact. energy: -0.149
local terms energy: -531.513866
where:
bonds (distance) C4'-P energy: -91.698
bonds (distance) P-C4' energy: -93.630
flat angles C4'-P-C4' energy: -121.067
flat angles P-C4'-P energy: -74.930
tors. eta vs tors. theta energy: -150.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -1830.498871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1830.498871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1830.498871 (E_RNA)
where:
Base-Base interactions energy: -1289.074
where: short stacking energy: -522.864
Base-Backbone interact. energy: 0.836
local terms energy: -542.261185
where:
bonds (distance) C4'-P energy: -100.606
bonds (distance) P-C4' energy: -92.852
flat angles C4'-P-C4' energy: -116.520
flat angles P-C4'-P energy: -83.256
tors. eta vs tors. theta energy: -149.028
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: 4, replica: 8
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -1765.272851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.272851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.272851 (E_RNA)
where:
Base-Base interactions energy: -1265.294
where: short stacking energy: -509.996
Base-Backbone interact. energy: -2.794
local terms energy: -497.185239
where:
bonds (distance) C4'-P energy: -78.798
bonds (distance) P-C4' energy: -100.476
flat angles C4'-P-C4' energy: -110.034
flat angles P-C4'-P energy: -76.912
tors. eta vs tors. theta energy: -130.965
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: 3
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -1662.427529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.427529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.427529 (E_RNA)
where:
Base-Base interactions energy: -1148.594
where: short stacking energy: -471.320
Base-Backbone interact. energy: -2.771
local terms energy: -511.062570
where:
bonds (distance) C4'-P energy: -90.103
bonds (distance) P-C4' energy: -108.391
flat angles C4'-P-C4' energy: -116.325
flat angles P-C4'-P energy: -63.780
tors. eta vs tors. theta energy: -132.463
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: 9
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -1461.298093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.298093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.298093 (E_RNA)
where:
Base-Base interactions energy: -994.953
where: short stacking energy: -424.164
Base-Backbone interact. energy: -2.201
local terms energy: -464.143736
where:
bonds (distance) C4'-P energy: -89.025
bonds (distance) P-C4' energy: -83.158
flat angles C4'-P-C4' energy: -111.617
flat angles P-C4'-P energy: -72.423
tors. eta vs tors. theta energy: -107.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -1378.053217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1378.053217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1378.053217 (E_RNA)
where:
Base-Base interactions energy: -951.768
where: short stacking energy: -401.932
Base-Backbone interact. energy: -0.497
local terms energy: -425.788298
where:
bonds (distance) C4'-P energy: -82.418
bonds (distance) P-C4' energy: -95.887
flat angles C4'-P-C4' energy: -93.691
flat angles P-C4'-P energy: -60.349
tors. eta vs tors. theta energy: -93.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -1267.041869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.041869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.041869 (E_RNA)
where:
Base-Base interactions energy: -881.622
where: short stacking energy: -327.621
Base-Backbone interact. energy: 7.110
local terms energy: -392.530479
where:
bonds (distance) C4'-P energy: -77.721
bonds (distance) P-C4' energy: -81.703
flat angles C4'-P-C4' energy: -108.662
flat angles P-C4'-P energy: -60.823
tors. eta vs tors. theta energy: -63.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -1148.324781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1148.324781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1148.324781 (E_RNA)
where:
Base-Base interactions energy: -774.944
where: short stacking energy: -347.264
Base-Backbone interact. energy: 0.904
local terms energy: -374.284986
where:
bonds (distance) C4'-P energy: -81.081
bonds (distance) P-C4' energy: -99.055
flat angles C4'-P-C4' energy: -62.026
flat angles P-C4'-P energy: -62.139
tors. eta vs tors. theta energy: -69.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -805.560720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.560720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.560720 (E_RNA)
where:
Base-Base interactions energy: -487.146
where: short stacking energy: -210.154
Base-Backbone interact. energy: -1.861
local terms energy: -316.553560
where:
bonds (distance) C4'-P energy: -89.437
bonds (distance) P-C4' energy: -83.923
flat angles C4'-P-C4' energy: -71.435
flat angles P-C4'-P energy: -52.867
tors. eta vs tors. theta energy: -18.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -1966.126882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.126882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.126882 (E_RNA)
where:
Base-Base interactions energy: -1386.842
where: short stacking energy: -572.205
Base-Backbone interact. energy: -3.341
local terms energy: -575.943701
where:
bonds (distance) C4'-P energy: -106.557
bonds (distance) P-C4' energy: -95.021
flat angles C4'-P-C4' energy: -125.454
flat angles P-C4'-P energy: -89.586
tors. eta vs tors. theta energy: -159.326
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: 4
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -1874.655433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.655433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.655433 (E_RNA)
where:
Base-Base interactions energy: -1320.548
where: short stacking energy: -554.621
Base-Backbone interact. energy: -3.672
local terms energy: -550.435089
where:
bonds (distance) C4'-P energy: -103.117
bonds (distance) P-C4' energy: -112.206
flat angles C4'-P-C4' energy: -102.837
flat angles P-C4'-P energy: -79.215
tors. eta vs tors. theta energy: -153.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -1822.463328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.463328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.463328 (E_RNA)
where:
Base-Base interactions energy: -1286.084
where: short stacking energy: -525.912
Base-Backbone interact. energy: -0.279
local terms energy: -536.100994
where:
bonds (distance) C4'-P energy: -97.587
bonds (distance) P-C4' energy: -101.041
flat angles C4'-P-C4' energy: -116.545
flat angles P-C4'-P energy: -76.057
tors. eta vs tors. theta energy: -144.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -1733.873876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.873876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.873876 (E_RNA)
where:
Base-Base interactions energy: -1234.115
where: short stacking energy: -511.775
Base-Backbone interact. energy: -3.794
local terms energy: -495.965181
where:
bonds (distance) C4'-P energy: -98.466
bonds (distance) P-C4' energy: -84.426
flat angles C4'-P-C4' energy: -100.433
flat angles P-C4'-P energy: -75.329
tors. eta vs tors. theta energy: -137.310
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: 3
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -1656.828952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.828952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.828952 (E_RNA)
where:
Base-Base interactions energy: -1173.323
where: short stacking energy: -467.594
Base-Backbone interact. energy: -4.917
local terms energy: -478.588974
where:
bonds (distance) C4'-P energy: -82.969
bonds (distance) P-C4' energy: -88.991
flat angles C4'-P-C4' energy: -108.892
flat angles P-C4'-P energy: -79.526
tors. eta vs tors. theta energy: -118.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -1518.756712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.756712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.756712 (E_RNA)
where:
Base-Base interactions energy: -1052.653
where: short stacking energy: -445.762
Base-Backbone interact. energy: -2.333
local terms energy: -463.771201
where:
bonds (distance) C4'-P energy: -79.744
bonds (distance) P-C4' energy: -103.437
flat angles C4'-P-C4' energy: -97.256
flat angles P-C4'-P energy: -65.735
tors. eta vs tors. theta energy: -117.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -1369.927021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.927021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.927021 (E_RNA)
where:
Base-Base interactions energy: -969.888
where: short stacking energy: -398.139
Base-Backbone interact. energy: -1.111
local terms energy: -398.928842
where:
bonds (distance) C4'-P energy: -69.171
bonds (distance) P-C4' energy: -86.627
flat angles C4'-P-C4' energy: -80.152
flat angles P-C4'-P energy: -61.760
tors. eta vs tors. theta energy: -101.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -1268.262884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.262884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.262884 (E_RNA)
where:
Base-Base interactions energy: -858.267
where: short stacking energy: -357.172
Base-Backbone interact. energy: -0.451
local terms energy: -409.544135
where:
bonds (distance) C4'-P energy: -86.521
bonds (distance) P-C4' energy: -85.848
flat angles C4'-P-C4' energy: -99.476
flat angles P-C4'-P energy: -65.667
tors. eta vs tors. theta energy: -72.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -1159.147391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.147391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.147391 (E_RNA)
where:
Base-Base interactions energy: -775.604
where: short stacking energy: -313.794
Base-Backbone interact. energy: -0.998
local terms energy: -382.545590
where:
bonds (distance) C4'-P energy: -72.636
bonds (distance) P-C4' energy: -92.060
flat angles C4'-P-C4' energy: -88.225
flat angles P-C4'-P energy: -66.616
tors. eta vs tors. theta energy: -63.009
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: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -749.519438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.519438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.519438 (E_RNA)
where:
Base-Base interactions energy: -442.341
where: short stacking energy: -228.587
Base-Backbone interact. energy: 4.788
local terms energy: -311.966290
where:
bonds (distance) C4'-P energy: -82.278
bonds (distance) P-C4' energy: -80.103
flat angles C4'-P-C4' energy: -89.470
flat angles P-C4'-P energy: -39.679
tors. eta vs tors. theta energy: -20.437
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: 1, replica: 2
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -1925.369352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.369352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.369352 (E_RNA)
where:
Base-Base interactions energy: -1375.130
where: short stacking energy: -560.561
Base-Backbone interact. energy: -0.259
local terms energy: -549.980510
where:
bonds (distance) C4'-P energy: -96.359
bonds (distance) P-C4' energy: -97.885
flat angles C4'-P-C4' energy: -124.346
flat angles P-C4'-P energy: -83.838
tors. eta vs tors. theta energy: -147.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -1875.719391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.719391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.719391 (E_RNA)
where:
Base-Base interactions energy: -1323.363
where: short stacking energy: -526.839
Base-Backbone interact. energy: 1.852
local terms energy: -554.208714
where:
bonds (distance) C4'-P energy: -96.778
bonds (distance) P-C4' energy: -103.304
flat angles C4'-P-C4' energy: -123.973
flat angles P-C4'-P energy: -78.486
tors. eta vs tors. theta energy: -151.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -1825.900629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.900629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.900629 (E_RNA)
where:
Base-Base interactions energy: -1284.428
where: short stacking energy: -515.598
Base-Backbone interact. energy: 0.297
local terms energy: -541.769560
where:
bonds (distance) C4'-P energy: -96.362
bonds (distance) P-C4' energy: -100.794
flat angles C4'-P-C4' energy: -114.603
flat angles P-C4'-P energy: -84.469
tors. eta vs tors. theta energy: -145.541
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: 8
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -1732.561102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.561102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.561102 (E_RNA)
where:
Base-Base interactions energy: -1231.081
where: short stacking energy: -495.194
Base-Backbone interact. energy: 3.493
local terms energy: -504.973452
where:
bonds (distance) C4'-P energy: -92.062
bonds (distance) P-C4' energy: -97.090
flat angles C4'-P-C4' energy: -111.254
flat angles P-C4'-P energy: -78.188
tors. eta vs tors. theta energy: -126.380
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: 5, replica: 3
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -1645.366644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.366644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.366644 (E_RNA)
where:
Base-Base interactions energy: -1161.118
where: short stacking energy: -484.983
Base-Backbone interact. energy: -0.910
local terms energy: -483.338317
where:
bonds (distance) C4'-P energy: -90.605
bonds (distance) P-C4' energy: -94.468
flat angles C4'-P-C4' energy: -105.146
flat angles P-C4'-P energy: -63.150
tors. eta vs tors. theta energy: -129.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -1457.863636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.863636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.863636 (E_RNA)
where:
Base-Base interactions energy: -986.067
where: short stacking energy: -456.209
Base-Backbone interact. energy: -0.619
local terms energy: -471.177458
where:
bonds (distance) C4'-P energy: -92.420
bonds (distance) P-C4' energy: -88.458
flat angles C4'-P-C4' energy: -101.021
flat angles P-C4'-P energy: -70.204
tors. eta vs tors. theta energy: -119.074
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: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -1398.587342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.587342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.587342 (E_RNA)
where:
Base-Base interactions energy: -989.533
where: short stacking energy: -403.588
Base-Backbone interact. energy: 0.186
local terms energy: -409.239722
where:
bonds (distance) C4'-P energy: -80.232
bonds (distance) P-C4' energy: -79.217
flat angles C4'-P-C4' energy: -95.443
flat angles P-C4'-P energy: -59.802
tors. eta vs tors. theta energy: -94.546
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: 5
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -1326.999763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1326.999763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1326.999763 (E_RNA)
where:
Base-Base interactions energy: -925.089
where: short stacking energy: -380.239
Base-Backbone interact. energy: 0.379
local terms energy: -402.289516
where:
bonds (distance) C4'-P energy: -85.943
bonds (distance) P-C4' energy: -71.952
flat angles C4'-P-C4' energy: -98.285
flat angles P-C4'-P energy: -64.065
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: 6
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -1206.242130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.242130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.242130 (E_RNA)
where:
Base-Base interactions energy: -807.114
where: short stacking energy: -351.569
Base-Backbone interact. energy: -2.443
local terms energy: -396.685865
where:
bonds (distance) C4'-P energy: -77.565
bonds (distance) P-C4' energy: -87.099
flat angles C4'-P-C4' energy: -88.270
flat angles P-C4'-P energy: -57.881
tors. eta vs tors. theta energy: -85.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -720.229472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.229472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.229472 (E_RNA)
where:
Base-Base interactions energy: -399.562
where: short stacking energy: -203.855
Base-Backbone interact. energy: -4.698
local terms energy: -315.969402
where:
bonds (distance) C4'-P energy: -88.924
bonds (distance) P-C4' energy: -84.140
flat angles C4'-P-C4' energy: -85.075
flat angles P-C4'-P energy: -43.164
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -1938.678302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.678302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.678302 (E_RNA)
where:
Base-Base interactions energy: -1364.659
where: short stacking energy: -549.125
Base-Backbone interact. energy: 1.141
local terms energy: -575.160698
where:
bonds (distance) C4'-P energy: -105.733
bonds (distance) P-C4' energy: -115.084
flat angles C4'-P-C4' energy: -115.977
flat angles P-C4'-P energy: -84.550
tors. eta vs tors. theta energy: -153.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -1837.300902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1837.300902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1837.300902 (E_RNA)
where:
Base-Base interactions energy: -1299.274
where: short stacking energy: -519.164
Base-Backbone interact. energy: -2.232
local terms energy: -535.794220
where:
bonds (distance) C4'-P energy: -92.356
bonds (distance) P-C4' energy: -106.602
flat angles C4'-P-C4' energy: -106.672
flat angles P-C4'-P energy: -92.009
tors. eta vs tors. theta energy: -138.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -1780.679808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.679808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.679808 (E_RNA)
where:
Base-Base interactions energy: -1260.936
where: short stacking energy: -504.843
Base-Backbone interact. energy: -1.480
local terms energy: -518.263162
where:
bonds (distance) C4'-P energy: -106.647
bonds (distance) P-C4' energy: -104.996
flat angles C4'-P-C4' energy: -111.821
flat angles P-C4'-P energy: -59.579
tors. eta vs tors. theta energy: -135.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -1720.902054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.902054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.902054 (E_RNA)
where:
Base-Base interactions energy: -1215.802
where: short stacking energy: -490.685
Base-Backbone interact. energy: 1.238
local terms energy: -506.338457
where:
bonds (distance) C4'-P energy: -92.755
bonds (distance) P-C4' energy: -108.623
flat angles C4'-P-C4' energy: -114.793
flat angles P-C4'-P energy: -71.669
tors. eta vs tors. theta energy: -118.499
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: 3
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -1672.715447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.715447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.715447 (E_RNA)
where:
Base-Base interactions energy: -1179.107
where: short stacking energy: -484.016
Base-Backbone interact. energy: -1.434
local terms energy: -492.174906
where:
bonds (distance) C4'-P energy: -103.720
bonds (distance) P-C4' energy: -94.000
flat angles C4'-P-C4' energy: -101.210
flat angles P-C4'-P energy: -66.459
tors. eta vs tors. theta energy: -126.785
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: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -1448.937242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.937242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.937242 (E_RNA)
where:
Base-Base interactions energy: -1002.473
where: short stacking energy: -437.579
Base-Backbone interact. energy: -1.347
local terms energy: -445.116624
where:
bonds (distance) C4'-P energy: -72.435
bonds (distance) P-C4' energy: -96.974
flat angles C4'-P-C4' energy: -106.677
flat angles P-C4'-P energy: -66.009
tors. eta vs tors. theta energy: -103.021
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: 7, replica: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -1347.083842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1347.083842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1347.083842 (E_RNA)
where:
Base-Base interactions energy: -912.829
where: short stacking energy: -396.535
Base-Backbone interact. energy: 0.945
local terms energy: -435.199967
where:
bonds (distance) C4'-P energy: -83.061
bonds (distance) P-C4' energy: -93.994
flat angles C4'-P-C4' energy: -100.736
flat angles P-C4'-P energy: -63.220
tors. eta vs tors. theta energy: -94.190
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: 5
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -1293.429000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.429000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.429000 (E_RNA)
where:
Base-Base interactions energy: -900.614
where: short stacking energy: -361.251
Base-Backbone interact. energy: -1.847
local terms energy: -390.968378
where:
bonds (distance) C4'-P energy: -83.615
bonds (distance) P-C4' energy: -73.288
flat angles C4'-P-C4' energy: -90.071
flat angles P-C4'-P energy: -63.755
tors. eta vs tors. theta energy: -80.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -1192.063736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1192.063736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1192.063736 (E_RNA)
where:
Base-Base interactions energy: -776.676
where: short stacking energy: -330.516
Base-Backbone interact. energy: -3.726
local terms energy: -411.661682
where:
bonds (distance) C4'-P energy: -79.435
bonds (distance) P-C4' energy: -104.693
flat angles C4'-P-C4' energy: -80.988
flat angles P-C4'-P energy: -58.540
tors. eta vs tors. theta energy: -88.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -708.866270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.866270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.866270 (E_RNA)
where:
Base-Base interactions energy: -399.560
where: short stacking energy: -196.498
Base-Backbone interact. energy: -0.201
local terms energy: -309.105299
where:
bonds (distance) C4'-P energy: -74.995
bonds (distance) P-C4' energy: -94.401
flat angles C4'-P-C4' energy: -74.006
flat angles P-C4'-P energy: -51.326
tors. eta vs tors. theta energy: -14.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -1973.980256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.980256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.980256 (E_RNA)
where:
Base-Base interactions energy: -1397.712
where: short stacking energy: -564.023
Base-Backbone interact. energy: -3.563
local terms energy: -572.704691
where:
bonds (distance) C4'-P energy: -106.729
bonds (distance) P-C4' energy: -103.383
flat angles C4'-P-C4' energy: -119.866
flat angles P-C4'-P energy: -82.005
tors. eta vs tors. theta energy: -160.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -1871.146403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.146403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.146403 (E_RNA)
where:
Base-Base interactions energy: -1313.565
where: short stacking energy: -541.702
Base-Backbone interact. energy: -1.136
local terms energy: -556.444650
where:
bonds (distance) C4'-P energy: -87.537
bonds (distance) P-C4' energy: -113.870
flat angles C4'-P-C4' energy: -112.606
flat angles P-C4'-P energy: -85.787
tors. eta vs tors. theta energy: -156.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -1783.300087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.300087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.300087 (E_RNA)
where:
Base-Base interactions energy: -1249.158
where: short stacking energy: -509.624
Base-Backbone interact. energy: -2.169
local terms energy: -531.972539
where:
bonds (distance) C4'-P energy: -85.692
bonds (distance) P-C4' energy: -108.305
flat angles C4'-P-C4' energy: -109.679
flat angles P-C4'-P energy: -84.979
tors. eta vs tors. theta energy: -143.318
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: 4, replica: 3
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -1732.439223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.439223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.439223 (E_RNA)
where:
Base-Base interactions energy: -1220.006
where: short stacking energy: -498.720
Base-Backbone interact. energy: -0.914
local terms energy: -511.520152
where:
bonds (distance) C4'-P energy: -105.755
bonds (distance) P-C4' energy: -89.816
flat angles C4'-P-C4' energy: -101.208
flat angles P-C4'-P energy: -79.016
tors. eta vs tors. theta energy: -135.725
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: 8
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -1629.125384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.125384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.125384 (E_RNA)
where:
Base-Base interactions energy: -1191.138
where: short stacking energy: -459.087
Base-Backbone interact. energy: 1.139
local terms energy: -439.125872
where:
bonds (distance) C4'-P energy: -83.250
bonds (distance) P-C4' energy: -88.561
flat angles C4'-P-C4' energy: -93.156
flat angles P-C4'-P energy: -55.755
tors. eta vs tors. theta energy: -118.405
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: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -1511.970384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.970384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.970384 (E_RNA)
where:
Base-Base interactions energy: -1060.726
where: short stacking energy: -439.852
Base-Backbone interact. energy: -1.165
local terms energy: -450.079378
where:
bonds (distance) C4'-P energy: -82.496
bonds (distance) P-C4' energy: -100.700
flat angles C4'-P-C4' energy: -104.083
flat angles P-C4'-P energy: -56.089
tors. eta vs tors. theta energy: -106.711
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: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -1349.041735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.041735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.041735 (E_RNA)
where:
Base-Base interactions energy: -910.010
where: short stacking energy: -372.701
Base-Backbone interact. energy: -2.240
local terms energy: -436.792150
where:
bonds (distance) C4'-P energy: -95.334
bonds (distance) P-C4' energy: -85.958
flat angles C4'-P-C4' energy: -85.615
flat angles P-C4'-P energy: -72.287
tors. eta vs tors. theta energy: -97.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -1278.871284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.871284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.871284 (E_RNA)
where:
Base-Base interactions energy: -870.567
where: short stacking energy: -390.480
Base-Backbone interact. energy: 1.063
local terms energy: -409.367013
where:
bonds (distance) C4'-P energy: -80.377
bonds (distance) P-C4' energy: -86.015
flat angles C4'-P-C4' energy: -95.293
flat angles P-C4'-P energy: -49.237
tors. eta vs tors. theta energy: -98.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -1208.389112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1208.389112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1208.389112 (E_RNA)
where:
Base-Base interactions energy: -817.179
where: short stacking energy: -376.739
Base-Backbone interact. energy: 1.088
local terms energy: -392.298640
where:
bonds (distance) C4'-P energy: -78.819
bonds (distance) P-C4' energy: -85.604
flat angles C4'-P-C4' energy: -95.319
flat angles P-C4'-P energy: -34.092
tors. eta vs tors. theta energy: -98.464
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: 321
Temperature: 1.350000
Total energy: -746.142964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.142964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.142964 (E_RNA)
where:
Base-Base interactions energy: -392.316
where: short stacking energy: -203.086
Base-Backbone interact. energy: -2.597
local terms energy: -351.229275
where:
bonds (distance) C4'-P energy: -101.042
bonds (distance) P-C4' energy: -80.229
flat angles C4'-P-C4' energy: -83.564
flat angles P-C4'-P energy: -48.256
tors. eta vs tors. theta energy: -38.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -1958.092985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.092985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.092985 (E_RNA)
where:
Base-Base interactions energy: -1404.815
where: short stacking energy: -562.356
Base-Backbone interact. energy: -4.221
local terms energy: -549.057033
where:
bonds (distance) C4'-P energy: -92.041
bonds (distance) P-C4' energy: -105.797
flat angles C4'-P-C4' energy: -106.366
flat angles P-C4'-P energy: -84.242
tors. eta vs tors. theta energy: -160.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -1876.731845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.731845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.731845 (E_RNA)
where:
Base-Base interactions energy: -1323.307
where: short stacking energy: -532.710
Base-Backbone interact. energy: -0.909
local terms energy: -552.515137
where:
bonds (distance) C4'-P energy: -92.012
bonds (distance) P-C4' energy: -116.011
flat angles C4'-P-C4' energy: -108.220
flat angles P-C4'-P energy: -87.783
tors. eta vs tors. theta energy: -148.489
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: 3
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -1761.805423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.805423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.805423 (E_RNA)
where:
Base-Base interactions energy: -1255.638
where: short stacking energy: -517.463
Base-Backbone interact. energy: -2.844
local terms energy: -503.323554
where:
bonds (distance) C4'-P energy: -85.130
bonds (distance) P-C4' energy: -99.492
flat angles C4'-P-C4' energy: -111.750
flat angles P-C4'-P energy: -76.855
tors. eta vs tors. theta energy: -130.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -1664.490569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.490569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.490569 (E_RNA)
where:
Base-Base interactions energy: -1180.719
where: short stacking energy: -478.375
Base-Backbone interact. energy: -2.147
local terms energy: -481.624608
where:
bonds (distance) C4'-P energy: -94.879
bonds (distance) P-C4' energy: -100.910
flat angles C4'-P-C4' energy: -81.531
flat angles P-C4'-P energy: -73.054
tors. eta vs tors. theta energy: -131.252
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: 8
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -1613.915770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1613.915770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1613.915770 (E_RNA)
where:
Base-Base interactions energy: -1154.210
where: short stacking energy: -443.954
Base-Backbone interact. energy: -2.432
local terms energy: -457.273854
where:
bonds (distance) C4'-P energy: -87.304
bonds (distance) P-C4' energy: -83.486
flat angles C4'-P-C4' energy: -121.279
flat angles P-C4'-P energy: -65.757
tors. eta vs tors. theta energy: -99.448
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: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -1447.176908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.176908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.176908 (E_RNA)
where:
Base-Base interactions energy: -1016.505
where: short stacking energy: -442.026
Base-Backbone interact. energy: -1.178
local terms energy: -429.493361
where:
bonds (distance) C4'-P energy: -78.758
bonds (distance) P-C4' energy: -87.603
flat angles C4'-P-C4' energy: -102.350
flat angles P-C4'-P energy: -53.697
tors. eta vs tors. theta energy: -107.085
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: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -1348.541009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.541009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.541009 (E_RNA)
where:
Base-Base interactions energy: -930.048
where: short stacking energy: -403.460
Base-Backbone interact. energy: 2.780
local terms energy: -421.273012
where:
bonds (distance) C4'-P energy: -93.875
bonds (distance) P-C4' energy: -93.760
flat angles C4'-P-C4' energy: -106.443
flat angles P-C4'-P energy: -41.729
tors. eta vs tors. theta energy: -85.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -1258.875078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.875078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.875078 (E_RNA)
where:
Base-Base interactions energy: -857.574
where: short stacking energy: -357.649
Base-Backbone interact. energy: -1.652
local terms energy: -399.648879
where:
bonds (distance) C4'-P energy: -84.327
bonds (distance) P-C4' energy: -88.379
flat angles C4'-P-C4' energy: -91.386
flat angles P-C4'-P energy: -59.898
tors. eta vs tors. theta energy: -75.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -1201.263194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1201.263194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1201.263194 (E_RNA)
where:
Base-Base interactions energy: -827.793
where: short stacking energy: -365.227
Base-Backbone interact. energy: -1.778
local terms energy: -371.692021
where:
bonds (distance) C4'-P energy: -61.177
bonds (distance) P-C4' energy: -75.823
flat angles C4'-P-C4' energy: -81.973
flat angles P-C4'-P energy: -61.025
tors. eta vs tors. theta energy: -91.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -755.577976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.577976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.577976 (E_RNA)
where:
Base-Base interactions energy: -443.666
where: short stacking energy: -211.867
Base-Backbone interact. energy: -2.820
local terms energy: -309.091667
where:
bonds (distance) C4'-P energy: -76.622
bonds (distance) P-C4' energy: -98.590
flat angles C4'-P-C4' energy: -82.448
flat angles P-C4'-P energy: -33.059
tors. eta vs tors. theta energy: -18.373
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: 323
Temperature: 0.900000
Total energy: -1980.943579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.943579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.943579 (E_RNA)
where:
Base-Base interactions energy: -1424.151
where: short stacking energy: -566.683
Base-Backbone interact. energy: -3.957
local terms energy: -552.835433
where:
bonds (distance) C4'-P energy: -105.067
bonds (distance) P-C4' energy: -100.214
flat angles C4'-P-C4' energy: -116.330
flat angles P-C4'-P energy: -72.403
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: 2, replica: 1
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -1891.765856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.765856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.765856 (E_RNA)
where:
Base-Base interactions energy: -1361.234
where: short stacking energy: -541.759
Base-Backbone interact. energy: -0.258
local terms energy: -530.274050
where:
bonds (distance) C4'-P energy: -102.937
bonds (distance) P-C4' energy: -90.319
flat angles C4'-P-C4' energy: -115.195
flat angles P-C4'-P energy: -79.377
tors. eta vs tors. theta energy: -142.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -1778.284885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.284885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.284885 (E_RNA)
where:
Base-Base interactions energy: -1249.290
where: short stacking energy: -517.446
Base-Backbone interact. energy: 1.829
local terms energy: -530.823226
where:
bonds (distance) C4'-P energy: -81.449
bonds (distance) P-C4' energy: -104.482
flat angles C4'-P-C4' energy: -114.757
flat angles P-C4'-P energy: -78.674
tors. eta vs tors. theta energy: -151.460
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: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -1715.840458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.840458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.840458 (E_RNA)
where:
Base-Base interactions energy: -1226.891
where: short stacking energy: -507.043
Base-Backbone interact. energy: 0.935
local terms energy: -489.884224
where:
bonds (distance) C4'-P energy: -70.270
bonds (distance) P-C4' energy: -97.025
flat angles C4'-P-C4' energy: -116.447
flat angles P-C4'-P energy: -68.578
tors. eta vs tors. theta energy: -137.564
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: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -1677.402612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.402612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.402612 (E_RNA)
where:
Base-Base interactions energy: -1187.301
where: short stacking energy: -496.385
Base-Backbone interact. energy: -1.931
local terms energy: -488.170295
where:
bonds (distance) C4'-P energy: -78.869
bonds (distance) P-C4' energy: -97.791
flat angles C4'-P-C4' energy: -109.411
flat angles P-C4'-P energy: -68.070
tors. eta vs tors. theta energy: -134.029
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: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -1501.229394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.229394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.229394 (E_RNA)
where:
Base-Base interactions energy: -1031.607
where: short stacking energy: -436.091
Base-Backbone interact. energy: -1.238
local terms energy: -468.384114
where:
bonds (distance) C4'-P energy: -98.131
bonds (distance) P-C4' energy: -93.536
flat angles C4'-P-C4' energy: -103.311
flat angles P-C4'-P energy: -67.618
tors. eta vs tors. theta energy: -105.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -1408.497154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1408.497154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1408.497154 (E_RNA)
where:
Base-Base interactions energy: -969.753
where: short stacking energy: -414.792
Base-Backbone interact. energy: 1.293
local terms energy: -440.036786
where:
bonds (distance) C4'-P energy: -87.357
bonds (distance) P-C4' energy: -89.155
flat angles C4'-P-C4' energy: -98.501
flat angles P-C4'-P energy: -64.938
tors. eta vs tors. theta energy: -100.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -1218.166203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.166203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.166203 (E_RNA)
where:
Base-Base interactions energy: -841.218
where: short stacking energy: -358.572
Base-Backbone interact. energy: 1.557
local terms energy: -378.504747
where:
bonds (distance) C4'-P energy: -84.933
bonds (distance) P-C4' energy: -84.313
flat angles C4'-P-C4' energy: -94.945
flat angles P-C4'-P energy: -50.887
tors. eta vs tors. theta energy: -63.426
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: 6
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -1167.794768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.794768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.794768 (E_RNA)
where:
Base-Base interactions energy: -769.081
where: short stacking energy: -312.577
Base-Backbone interact. energy: -2.935
local terms energy: -395.778950
where:
bonds (distance) C4'-P energy: -79.232
bonds (distance) P-C4' energy: -82.273
flat angles C4'-P-C4' energy: -102.889
flat angles P-C4'-P energy: -57.590
tors. eta vs tors. theta energy: -73.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -739.810171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.810171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.810171 (E_RNA)
where:
Base-Base interactions energy: -429.603
where: short stacking energy: -213.685
Base-Backbone interact. energy: 2.172
local terms energy: -312.378795
where:
bonds (distance) C4'-P energy: -71.743
bonds (distance) P-C4' energy: -89.842
flat angles C4'-P-C4' energy: -68.437
flat angles P-C4'-P energy: -54.455
tors. eta vs tors. theta energy: -27.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -1948.544770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.544770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.544770 (E_RNA)
where:
Base-Base interactions energy: -1390.872
where: short stacking energy: -554.763
Base-Backbone interact. energy: -0.240
local terms energy: -557.433278
where:
bonds (distance) C4'-P energy: -103.837
bonds (distance) P-C4' energy: -107.040
flat angles C4'-P-C4' energy: -100.939
flat angles P-C4'-P energy: -89.214
tors. eta vs tors. theta energy: -156.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -1892.781155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.781155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.781155 (E_RNA)
where:
Base-Base interactions energy: -1370.837
where: short stacking energy: -532.314
Base-Backbone interact. energy: 1.710
local terms energy: -523.654128
where:
bonds (distance) C4'-P energy: -95.877
bonds (distance) P-C4' energy: -97.051
flat angles C4'-P-C4' energy: -112.575
flat angles P-C4'-P energy: -72.468
tors. eta vs tors. theta energy: -145.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -1731.723245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.723245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.723245 (E_RNA)
where:
Base-Base interactions energy: -1207.619
where: short stacking energy: -498.366
Base-Backbone interact. energy: -1.322
local terms energy: -522.782791
where:
bonds (distance) C4'-P energy: -88.621
bonds (distance) P-C4' energy: -101.477
flat angles C4'-P-C4' energy: -117.921
flat angles P-C4'-P energy: -69.791
tors. eta vs tors. theta energy: -144.973
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: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -1736.749322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.749322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.749322 (E_RNA)
where:
Base-Base interactions energy: -1219.003
where: short stacking energy: -505.369
Base-Backbone interact. energy: 0.785
local terms energy: -518.531430
where:
bonds (distance) C4'-P energy: -92.748
bonds (distance) P-C4' energy: -91.985
flat angles C4'-P-C4' energy: -112.641
flat angles P-C4'-P energy: -74.260
tors. eta vs tors. theta energy: -146.897
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: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -1688.775036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1688.775036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1688.775036 (E_RNA)
where:
Base-Base interactions energy: -1210.195
where: short stacking energy: -499.633
Base-Backbone interact. energy: 0.565
local terms energy: -479.145201
where:
bonds (distance) C4'-P energy: -80.425
bonds (distance) P-C4' energy: -84.561
flat angles C4'-P-C4' energy: -111.779
flat angles P-C4'-P energy: -75.702
tors. eta vs tors. theta energy: -126.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -1453.451648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.451648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.451648 (E_RNA)
where:
Base-Base interactions energy: -1005.829
where: short stacking energy: -426.260
Base-Backbone interact. energy: -1.490
local terms energy: -446.132599
where:
bonds (distance) C4'-P energy: -78.776
bonds (distance) P-C4' energy: -94.759
flat angles C4'-P-C4' energy: -115.770
flat angles P-C4'-P energy: -55.544
tors. eta vs tors. theta energy: -101.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -1364.213187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.213187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.213187 (E_RNA)
where:
Base-Base interactions energy: -925.253
where: short stacking energy: -396.727
Base-Backbone interact. energy: 1.035
local terms energy: -439.995894
where:
bonds (distance) C4'-P energy: -98.216
bonds (distance) P-C4' energy: -89.836
flat angles C4'-P-C4' energy: -87.398
flat angles P-C4'-P energy: -75.000
tors. eta vs tors. theta energy: -89.546
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: 5
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -1229.893263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1229.893263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1229.893263 (E_RNA)
where:
Base-Base interactions energy: -834.391
where: short stacking energy: -347.022
Base-Backbone interact. energy: -2.627
local terms energy: -392.875575
where:
bonds (distance) C4'-P energy: -86.023
bonds (distance) P-C4' energy: -87.251
flat angles C4'-P-C4' energy: -97.826
flat angles P-C4'-P energy: -55.768
tors. eta vs tors. theta energy: -66.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -1197.293390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.293390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.293390 (E_RNA)
where:
Base-Base interactions energy: -815.397
where: short stacking energy: -348.105
Base-Backbone interact. energy: -0.268
local terms energy: -381.628994
where:
bonds (distance) C4'-P energy: -79.414
bonds (distance) P-C4' energy: -78.389
flat angles C4'-P-C4' energy: -94.742
flat angles P-C4'-P energy: -60.434
tors. eta vs tors. theta energy: -68.650
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: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -748.963314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.963314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.963314 (E_RNA)
where:
Base-Base interactions energy: -428.370
where: short stacking energy: -203.665
Base-Backbone interact. energy: -1.578
local terms energy: -319.015153
where:
bonds (distance) C4'-P energy: -86.945
bonds (distance) P-C4' energy: -97.425
flat angles C4'-P-C4' energy: -74.649
flat angles P-C4'-P energy: -39.066
tors. eta vs tors. theta energy: -20.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -1957.340497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1957.340497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1957.340497 (E_RNA)
where:
Base-Base interactions energy: -1378.815
where: short stacking energy: -542.155
Base-Backbone interact. energy: -1.425
local terms energy: -577.100422
where:
bonds (distance) C4'-P energy: -98.899
bonds (distance) P-C4' energy: -109.165
flat angles C4'-P-C4' energy: -121.997
flat angles P-C4'-P energy: -81.686
tors. eta vs tors. theta energy: -165.353
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: 1
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -1888.208637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.208637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.208637 (E_RNA)
where:
Base-Base interactions energy: -1368.843
where: short stacking energy: -537.865
Base-Backbone interact. energy: 5.288
local terms energy: -524.653120
where:
bonds (distance) C4'-P energy: -94.818
bonds (distance) P-C4' energy: -97.136
flat angles C4'-P-C4' energy: -117.231
flat angles P-C4'-P energy: -76.885
tors. eta vs tors. theta energy: -138.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -1762.409962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.409962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.409962 (E_RNA)
where:
Base-Base interactions energy: -1238.043
where: short stacking energy: -519.413
Base-Backbone interact. energy: -1.180
local terms energy: -523.186616
where:
bonds (distance) C4'-P energy: -88.053
bonds (distance) P-C4' energy: -104.046
flat angles C4'-P-C4' energy: -117.878
flat angles P-C4'-P energy: -75.116
tors. eta vs tors. theta energy: -138.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -1744.189915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1744.189915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1744.189915 (E_RNA)
where:
Base-Base interactions energy: -1219.452
where: short stacking energy: -488.231
Base-Backbone interact. energy: -1.024
local terms energy: -523.714550
where:
bonds (distance) C4'-P energy: -89.439
bonds (distance) P-C4' energy: -97.710
flat angles C4'-P-C4' energy: -118.312
flat angles P-C4'-P energy: -76.313
tors. eta vs tors. theta energy: -141.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -1695.939272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.939272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.939272 (E_RNA)
where:
Base-Base interactions energy: -1223.882
where: short stacking energy: -481.305
Base-Backbone interact. energy: -1.835
local terms energy: -470.222682
where:
bonds (distance) C4'-P energy: -80.050
bonds (distance) P-C4' energy: -92.124
flat angles C4'-P-C4' energy: -102.221
flat angles P-C4'-P energy: -65.796
tors. eta vs tors. theta energy: -130.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -1521.628980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.628980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.628980 (E_RNA)
where:
Base-Base interactions energy: -1045.149
where: short stacking energy: -452.291
Base-Backbone interact. energy: -1.176
local terms energy: -475.303533
where:
bonds (distance) C4'-P energy: -90.651
bonds (distance) P-C4' energy: -98.974
flat angles C4'-P-C4' energy: -109.206
flat angles P-C4'-P energy: -70.078
tors. eta vs tors. theta energy: -106.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -1330.640309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1330.640309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1330.640309 (E_RNA)
where:
Base-Base interactions energy: -917.845
where: short stacking energy: -411.996
Base-Backbone interact. energy: -2.558
local terms energy: -410.237780
where:
bonds (distance) C4'-P energy: -76.449
bonds (distance) P-C4' energy: -76.319
flat angles C4'-P-C4' energy: -106.702
flat angles P-C4'-P energy: -64.202
tors. eta vs tors. theta energy: -86.565
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: 6
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -1232.934163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.934163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.934163 (E_RNA)
where:
Base-Base interactions energy: -829.151
where: short stacking energy: -361.351
Base-Backbone interact. energy: -0.995
local terms energy: -402.787982
where:
bonds (distance) C4'-P energy: -87.702
bonds (distance) P-C4' energy: -79.208
flat angles C4'-P-C4' energy: -92.536
flat angles P-C4'-P energy: -62.658
tors. eta vs tors. theta energy: -80.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -1196.423675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1196.423675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1196.423675 (E_RNA)
where:
Base-Base interactions energy: -794.802
where: short stacking energy: -335.354
Base-Backbone interact. energy: -3.053
local terms energy: -398.568076
where:
bonds (distance) C4'-P energy: -83.469
bonds (distance) P-C4' energy: -99.119
flat angles C4'-P-C4' energy: -95.574
flat angles P-C4'-P energy: -53.749
tors. eta vs tors. theta energy: -66.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -772.000860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.000860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.000860 (E_RNA)
where:
Base-Base interactions energy: -452.788
where: short stacking energy: -228.881
Base-Backbone interact. energy: 1.934
local terms energy: -321.146486
where:
bonds (distance) C4'-P energy: -78.556
bonds (distance) P-C4' energy: -81.525
flat angles C4'-P-C4' energy: -82.273
flat angles P-C4'-P energy: -46.181
tors. eta vs tors. theta energy: -32.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -1938.921337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.921337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.921337 (E_RNA)
where:
Base-Base interactions energy: -1383.892
where: short stacking energy: -549.012
Base-Backbone interact. energy: -2.670
local terms energy: -552.359627
where:
bonds (distance) C4'-P energy: -96.351
bonds (distance) P-C4' energy: -102.790
flat angles C4'-P-C4' energy: -114.617
flat angles P-C4'-P energy: -85.807
tors. eta vs tors. theta energy: -152.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -1918.036651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.036651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.036651 (E_RNA)
where:
Base-Base interactions energy: -1382.703
where: short stacking energy: -548.415
Base-Backbone interact. energy: 2.983
local terms energy: -538.317085
where:
bonds (distance) C4'-P energy: -95.687
bonds (distance) P-C4' energy: -92.867
flat angles C4'-P-C4' energy: -123.062
flat angles P-C4'-P energy: -73.427
tors. eta vs tors. theta energy: -153.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -1784.706142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.706142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.706142 (E_RNA)
where:
Base-Base interactions energy: -1250.463
where: short stacking energy: -535.325
Base-Backbone interact. energy: -2.020
local terms energy: -532.223362
where:
bonds (distance) C4'-P energy: -101.076
bonds (distance) P-C4' energy: -97.526
flat angles C4'-P-C4' energy: -108.845
flat angles P-C4'-P energy: -76.488
tors. eta vs tors. theta energy: -148.288
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: 3
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -1765.342324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.342324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.342324 (E_RNA)
where:
Base-Base interactions energy: -1253.885
where: short stacking energy: -516.934
Base-Backbone interact. energy: -0.262
local terms energy: -511.195567
where:
bonds (distance) C4'-P energy: -82.140
bonds (distance) P-C4' energy: -96.632
flat angles C4'-P-C4' energy: -114.451
flat angles P-C4'-P energy: -78.330
tors. eta vs tors. theta energy: -139.644
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: 4
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -1667.674196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.674196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.674196 (E_RNA)
where:
Base-Base interactions energy: -1173.331
where: short stacking energy: -478.614
Base-Backbone interact. energy: -2.581
local terms energy: -491.762852
where:
bonds (distance) C4'-P energy: -101.704
bonds (distance) P-C4' energy: -91.389
flat angles C4'-P-C4' energy: -105.395
flat angles P-C4'-P energy: -59.418
tors. eta vs tors. theta energy: -133.856
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: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -1473.509399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.509399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.509399 (E_RNA)
where:
Base-Base interactions energy: -1019.601
where: short stacking energy: -415.894
Base-Backbone interact. energy: -0.568
local terms energy: -453.340430
where:
bonds (distance) C4'-P energy: -95.881
bonds (distance) P-C4' energy: -87.611
flat angles C4'-P-C4' energy: -97.687
flat angles P-C4'-P energy: -63.195
tors. eta vs tors. theta energy: -108.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -1331.048264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.048264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.048264 (E_RNA)
where:
Base-Base interactions energy: -916.068
where: short stacking energy: -397.774
Base-Backbone interact. energy: -1.860
local terms energy: -413.119883
where:
bonds (distance) C4'-P energy: -69.869
bonds (distance) P-C4' energy: -93.591
flat angles C4'-P-C4' energy: -100.281
flat angles P-C4'-P energy: -57.778
tors. eta vs tors. theta energy: -91.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -1209.887214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1209.887214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1209.887214 (E_RNA)
where:
Base-Base interactions energy: -801.941
where: short stacking energy: -351.975
Base-Backbone interact. energy: -0.062
local terms energy: -407.884007
where:
bonds (distance) C4'-P energy: -93.267
bonds (distance) P-C4' energy: -89.507
flat angles C4'-P-C4' energy: -83.977
flat angles P-C4'-P energy: -60.452
tors. eta vs tors. theta energy: -80.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -1167.994344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1167.994344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1167.994344 (E_RNA)
where:
Base-Base interactions energy: -782.237
where: short stacking energy: -305.777
Base-Backbone interact. energy: 1.853
local terms energy: -387.610172
where:
bonds (distance) C4'-P energy: -87.002
bonds (distance) P-C4' energy: -90.239
flat angles C4'-P-C4' energy: -91.642
flat angles P-C4'-P energy: -55.980
tors. eta vs tors. theta energy: -62.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -749.091715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -749.091715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -749.091715 (E_RNA)
where:
Base-Base interactions energy: -434.078
where: short stacking energy: -200.077
Base-Backbone interact. energy: -0.279
local terms energy: -314.734920
where:
bonds (distance) C4'-P energy: -75.387
bonds (distance) P-C4' energy: -89.242
flat angles C4'-P-C4' energy: -71.328
flat angles P-C4'-P energy: -50.771
tors. eta vs tors. theta energy: -28.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -1935.636662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.636662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.636662 (E_RNA)
where:
Base-Base interactions energy: -1387.260
where: short stacking energy: -544.030
Base-Backbone interact. energy: -4.258
local terms energy: -544.119018
where:
bonds (distance) C4'-P energy: -94.242
bonds (distance) P-C4' energy: -107.969
flat angles C4'-P-C4' energy: -115.543
flat angles P-C4'-P energy: -76.114
tors. eta vs tors. theta energy: -150.251
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: 1
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -1898.602807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.602807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.602807 (E_RNA)
where:
Base-Base interactions energy: -1352.913
where: short stacking energy: -540.328
Base-Backbone interact. energy: 2.936
local terms energy: -548.625129
where:
bonds (distance) C4'-P energy: -106.299
bonds (distance) P-C4' energy: -107.086
flat angles C4'-P-C4' energy: -117.960
flat angles P-C4'-P energy: -76.882
tors. eta vs tors. theta energy: -140.397
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: 3, replica: 8
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -1778.123323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.123323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.123323 (E_RNA)
where:
Base-Base interactions energy: -1262.105
where: short stacking energy: -500.217
Base-Backbone interact. energy: 2.561
local terms energy: -518.579200
where:
bonds (distance) C4'-P energy: -97.983
bonds (distance) P-C4' energy: -104.450
flat angles C4'-P-C4' energy: -111.816
flat angles P-C4'-P energy: -69.347
tors. eta vs tors. theta energy: -134.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -1683.329155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.329155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.329155 (E_RNA)
where:
Base-Base interactions energy: -1183.548
where: short stacking energy: -501.122
Base-Backbone interact. energy: -0.922
local terms energy: -498.859389
where:
bonds (distance) C4'-P energy: -79.346
bonds (distance) P-C4' energy: -103.779
flat angles C4'-P-C4' energy: -112.841
flat angles P-C4'-P energy: -66.564
tors. eta vs tors. theta energy: -136.329
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: 4
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -1658.381988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.381988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.381988 (E_RNA)
where:
Base-Base interactions energy: -1184.998
where: short stacking energy: -494.827
Base-Backbone interact. energy: -5.153
local terms energy: -468.230808
where:
bonds (distance) C4'-P energy: -82.829
bonds (distance) P-C4' energy: -85.643
flat angles C4'-P-C4' energy: -106.611
flat angles P-C4'-P energy: -69.653
tors. eta vs tors. theta energy: -123.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -1475.197698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.197698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.197698 (E_RNA)
where:
Base-Base interactions energy: -1038.780
where: short stacking energy: -444.277
Base-Backbone interact. energy: 2.288
local terms energy: -438.705336
where:
bonds (distance) C4'-P energy: -77.786
bonds (distance) P-C4' energy: -89.832
flat angles C4'-P-C4' energy: -93.192
flat angles P-C4'-P energy: -65.080
tors. eta vs tors. theta energy: -112.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -1402.281237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.281237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.281237 (E_RNA)
where:
Base-Base interactions energy: -944.224
where: short stacking energy: -419.934
Base-Backbone interact. energy: -0.780
local terms energy: -457.277046
where:
bonds (distance) C4'-P energy: -84.318
bonds (distance) P-C4' energy: -92.155
flat angles C4'-P-C4' energy: -94.093
flat angles P-C4'-P energy: -77.694
tors. eta vs tors. theta energy: -109.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -1206.538036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.538036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.538036 (E_RNA)
where:
Base-Base interactions energy: -807.534
where: short stacking energy: -337.344
Base-Backbone interact. energy: 12.504
local terms energy: -411.508415
where:
bonds (distance) C4'-P energy: -87.832
bonds (distance) P-C4' energy: -81.898
flat angles C4'-P-C4' energy: -107.562
flat angles P-C4'-P energy: -59.189
tors. eta vs tors. theta energy: -75.027
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: 6
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -1141.343515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.343515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.343515 (E_RNA)
where:
Base-Base interactions energy: -766.070
where: short stacking energy: -336.920
Base-Backbone interact. energy: 2.174
local terms energy: -377.447557
where:
bonds (distance) C4'-P energy: -85.421
bonds (distance) P-C4' energy: -82.709
flat angles C4'-P-C4' energy: -88.583
flat angles P-C4'-P energy: -55.306
tors. eta vs tors. theta energy: -65.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -723.224016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.224016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.224016 (E_RNA)
where:
Base-Base interactions energy: -432.535
where: short stacking energy: -194.240
Base-Backbone interact. energy: -1.493
local terms energy: -289.195330
where:
bonds (distance) C4'-P energy: -78.571
bonds (distance) P-C4' energy: -86.922
flat angles C4'-P-C4' energy: -59.610
flat angles P-C4'-P energy: -49.981
tors. eta vs tors. theta energy: -14.112
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: 328
Temperature: 0.900000
Total energy: -1950.593400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.593400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.593400 (E_RNA)
where:
Base-Base interactions energy: -1398.159
where: short stacking energy: -564.960
Base-Backbone interact. energy: 2.641
local terms energy: -555.074699
where:
bonds (distance) C4'-P energy: -106.916
bonds (distance) P-C4' energy: -98.407
flat angles C4'-P-C4' energy: -115.032
flat angles P-C4'-P energy: -76.378
tors. eta vs tors. theta energy: -158.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -1906.730885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.730885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.730885 (E_RNA)
where:
Base-Base interactions energy: -1348.849
where: short stacking energy: -537.546
Base-Backbone interact. energy: -2.073
local terms energy: -555.808634
where:
bonds (distance) C4'-P energy: -97.450
bonds (distance) P-C4' energy: -111.467
flat angles C4'-P-C4' energy: -121.569
flat angles P-C4'-P energy: -72.163
tors. eta vs tors. theta energy: -153.161
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: 8
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -1784.600987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.600987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.600987 (E_RNA)
where:
Base-Base interactions energy: -1230.128
where: short stacking energy: -508.157
Base-Backbone interact. energy: 1.983
local terms energy: -556.456070
where:
bonds (distance) C4'-P energy: -104.739
bonds (distance) P-C4' energy: -108.850
flat angles C4'-P-C4' energy: -119.342
flat angles P-C4'-P energy: -80.861
tors. eta vs tors. theta energy: -142.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -1666.402702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.402702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.402702 (E_RNA)
where:
Base-Base interactions energy: -1189.905
where: short stacking energy: -481.355
Base-Backbone interact. energy: 3.656
local terms energy: -480.154219
where:
bonds (distance) C4'-P energy: -77.876
bonds (distance) P-C4' energy: -95.234
flat angles C4'-P-C4' energy: -106.970
flat angles P-C4'-P energy: -68.072
tors. eta vs tors. theta energy: -132.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -1675.786920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1675.786920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1675.786920 (E_RNA)
where:
Base-Base interactions energy: -1191.843
where: short stacking energy: -479.635
Base-Backbone interact. energy: -0.406
local terms energy: -483.537997
where:
bonds (distance) C4'-P energy: -79.816
bonds (distance) P-C4' energy: -105.823
flat angles C4'-P-C4' energy: -109.322
flat angles P-C4'-P energy: -68.668
tors. eta vs tors. theta energy: -119.909
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: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -1491.272327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.272327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.272327 (E_RNA)
where:
Base-Base interactions energy: -1034.759
where: short stacking energy: -443.476
Base-Backbone interact. energy: -1.729
local terms energy: -454.784417
where:
bonds (distance) C4'-P energy: -91.286
bonds (distance) P-C4' energy: -84.152
flat angles C4'-P-C4' energy: -91.980
flat angles P-C4'-P energy: -73.619
tors. eta vs tors. theta energy: -113.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -1354.041050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1354.041050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1354.041050 (E_RNA)
where:
Base-Base interactions energy: -941.063
where: short stacking energy: -411.151
Base-Backbone interact. energy: -1.777
local terms energy: -411.201382
where:
bonds (distance) C4'-P energy: -61.553
bonds (distance) P-C4' energy: -83.245
flat angles C4'-P-C4' energy: -103.628
flat angles P-C4'-P energy: -63.748
tors. eta vs tors. theta energy: -99.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -1256.772117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.772117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.772117 (E_RNA)
where:
Base-Base interactions energy: -852.703
where: short stacking energy: -356.034
Base-Backbone interact. energy: 0.331
local terms energy: -404.400921
where:
bonds (distance) C4'-P energy: -83.741
bonds (distance) P-C4' energy: -84.308
flat angles C4'-P-C4' energy: -94.349
flat angles P-C4'-P energy: -52.071
tors. eta vs tors. theta energy: -89.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -1187.492876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1187.492876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1187.492876 (E_RNA)
where:
Base-Base interactions energy: -798.754
where: short stacking energy: -332.041
Base-Backbone interact. energy: 1.681
local terms energy: -390.419278
where:
bonds (distance) C4'-P energy: -91.594
bonds (distance) P-C4' energy: -97.178
flat angles C4'-P-C4' energy: -82.923
flat angles P-C4'-P energy: -52.235
tors. eta vs tors. theta energy: -66.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -723.790705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.790705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.790705 (E_RNA)
where:
Base-Base interactions energy: -393.977
where: short stacking energy: -209.315
Base-Backbone interact. energy: -2.757
local terms energy: -327.056676
where:
bonds (distance) C4'-P energy: -78.960
bonds (distance) P-C4' energy: -80.713
flat angles C4'-P-C4' energy: -83.532
flat angles P-C4'-P energy: -53.700
tors. eta vs tors. theta energy: -30.151
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: 2
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -1948.995432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.995432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.995432 (E_RNA)
where:
Base-Base interactions energy: -1370.553
where: short stacking energy: -556.573
Base-Backbone interact. energy: -3.209
local terms energy: -575.233366
where:
bonds (distance) C4'-P energy: -111.221
bonds (distance) P-C4' energy: -103.453
flat angles C4'-P-C4' energy: -113.225
flat angles P-C4'-P energy: -86.759
tors. eta vs tors. theta energy: -160.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -1915.176165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.176165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.176165 (E_RNA)
where:
Base-Base interactions energy: -1362.414
where: short stacking energy: -557.630
Base-Backbone interact. energy: -0.812
local terms energy: -551.949597
where:
bonds (distance) C4'-P energy: -97.257
bonds (distance) P-C4' energy: -100.013
flat angles C4'-P-C4' energy: -121.727
flat angles P-C4'-P energy: -73.692
tors. eta vs tors. theta energy: -159.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -1799.244956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1799.244956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1799.244956 (E_RNA)
where:
Base-Base interactions energy: -1278.436
where: short stacking energy: -526.252
Base-Backbone interact. energy: -1.756
local terms energy: -519.052559
where:
bonds (distance) C4'-P energy: -85.058
bonds (distance) P-C4' energy: -104.762
flat angles C4'-P-C4' energy: -101.989
flat angles P-C4'-P energy: -75.405
tors. eta vs tors. theta energy: -151.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -1700.561122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.561122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.561122 (E_RNA)
where:
Base-Base interactions energy: -1207.736
where: short stacking energy: -494.858
Base-Backbone interact. energy: 0.194
local terms energy: -493.019735
where:
bonds (distance) C4'-P energy: -100.219
bonds (distance) P-C4' energy: -96.611
flat angles C4'-P-C4' energy: -101.916
flat angles P-C4'-P energy: -64.180
tors. eta vs tors. theta energy: -130.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -1650.751673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.751673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.751673 (E_RNA)
where:
Base-Base interactions energy: -1158.443
where: short stacking energy: -461.453
Base-Backbone interact. energy: -0.940
local terms energy: -491.368366
where:
bonds (distance) C4'-P energy: -96.659
bonds (distance) P-C4' energy: -98.164
flat angles C4'-P-C4' energy: -110.262
flat angles P-C4'-P energy: -56.594
tors. eta vs tors. theta energy: -129.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -1438.240466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.240466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.240466 (E_RNA)
where:
Base-Base interactions energy: -984.840
where: short stacking energy: -400.249
Base-Backbone interact. energy: 0.993
local terms energy: -454.393158
where:
bonds (distance) C4'-P energy: -102.573
bonds (distance) P-C4' energy: -96.144
flat angles C4'-P-C4' energy: -108.019
flat angles P-C4'-P energy: -49.931
tors. eta vs tors. theta energy: -97.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -1386.880561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.880561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.880561 (E_RNA)
where:
Base-Base interactions energy: -962.461
where: short stacking energy: -407.308
Base-Backbone interact. energy: -1.848
local terms energy: -422.570875
where:
bonds (distance) C4'-P energy: -77.617
bonds (distance) P-C4' energy: -85.152
flat angles C4'-P-C4' energy: -107.784
flat angles P-C4'-P energy: -59.006
tors. eta vs tors. theta energy: -93.011
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: 5
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -1281.356547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.356547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.356547 (E_RNA)
where:
Base-Base interactions energy: -867.265
where: short stacking energy: -370.110
Base-Backbone interact. energy: -1.035
local terms energy: -413.055881
where:
bonds (distance) C4'-P energy: -76.764
bonds (distance) P-C4' energy: -87.436
flat angles C4'-P-C4' energy: -98.553
flat angles P-C4'-P energy: -63.962
tors. eta vs tors. theta energy: -86.341
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: 6
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -1152.133253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1152.133253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1152.133253 (E_RNA)
where:
Base-Base interactions energy: -783.105
where: short stacking energy: -321.154
Base-Backbone interact. energy: -2.395
local terms energy: -366.632753
where:
bonds (distance) C4'-P energy: -79.263
bonds (distance) P-C4' energy: -85.983
flat angles C4'-P-C4' energy: -84.749
flat angles P-C4'-P energy: -51.339
tors. eta vs tors. theta energy: -65.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -717.887291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.887291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.887291 (E_RNA)
where:
Base-Base interactions energy: -414.354
where: short stacking energy: -211.963
Base-Backbone interact. energy: 2.460
local terms energy: -305.992543
where:
bonds (distance) C4'-P energy: -87.130
bonds (distance) P-C4' energy: -88.799
flat angles C4'-P-C4' energy: -69.809
flat angles P-C4'-P energy: -49.038
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -1953.016696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1953.016696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1953.016696 (E_RNA)
where:
Base-Base interactions energy: -1403.607
where: short stacking energy: -556.157
Base-Backbone interact. energy: -0.437
local terms energy: -548.972513
where:
bonds (distance) C4'-P energy: -102.346
bonds (distance) P-C4' energy: -101.663
flat angles C4'-P-C4' energy: -114.566
flat angles P-C4'-P energy: -76.870
tors. eta vs tors. theta energy: -153.527
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: 2
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -1893.789569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.789569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.789569 (E_RNA)
where:
Base-Base interactions energy: -1338.487
where: short stacking energy: -533.678
Base-Backbone interact. energy: -2.801
local terms energy: -552.501193
where:
bonds (distance) C4'-P energy: -95.406
bonds (distance) P-C4' energy: -106.357
flat angles C4'-P-C4' energy: -125.388
flat angles P-C4'-P energy: -70.680
tors. eta vs tors. theta energy: -154.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -1828.853046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.853046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.853046 (E_RNA)
where:
Base-Base interactions energy: -1287.061
where: short stacking energy: -531.875
Base-Backbone interact. energy: -2.622
local terms energy: -539.169738
where:
bonds (distance) C4'-P energy: -92.664
bonds (distance) P-C4' energy: -102.745
flat angles C4'-P-C4' energy: -111.619
flat angles P-C4'-P energy: -78.122
tors. eta vs tors. theta energy: -154.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -1753.661646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.661646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.661646 (E_RNA)
where:
Base-Base interactions energy: -1232.424
where: short stacking energy: -509.323
Base-Backbone interact. energy: -2.982
local terms energy: -518.255550
where:
bonds (distance) C4'-P energy: -104.035
bonds (distance) P-C4' energy: -99.432
flat angles C4'-P-C4' energy: -103.610
flat angles P-C4'-P energy: -75.707
tors. eta vs tors. theta energy: -135.472
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: 5, replica: 3
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -1625.440865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.440865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.440865 (E_RNA)
where:
Base-Base interactions energy: -1156.277
where: short stacking energy: -481.265
Base-Backbone interact. energy: -2.853
local terms energy: -466.311446
where:
bonds (distance) C4'-P energy: -84.140
bonds (distance) P-C4' energy: -87.982
flat angles C4'-P-C4' energy: -102.749
flat angles P-C4'-P energy: -61.242
tors. eta vs tors. theta energy: -130.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -1466.874617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.874617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.874617 (E_RNA)
where:
Base-Base interactions energy: -1003.039
where: short stacking energy: -420.895
Base-Backbone interact. energy: -1.601
local terms energy: -462.234216
where:
bonds (distance) C4'-P energy: -95.547
bonds (distance) P-C4' energy: -100.632
flat angles C4'-P-C4' energy: -98.773
flat angles P-C4'-P energy: -54.361
tors. eta vs tors. theta energy: -112.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -1399.116062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.116062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.116062 (E_RNA)
where:
Base-Base interactions energy: -972.494
where: short stacking energy: -397.295
Base-Backbone interact. energy: 0.710
local terms energy: -427.332581
where:
bonds (distance) C4'-P energy: -77.515
bonds (distance) P-C4' energy: -99.840
flat angles C4'-P-C4' energy: -91.011
flat angles P-C4'-P energy: -65.185
tors. eta vs tors. theta energy: -93.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -1286.931141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.931141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.931141 (E_RNA)
where:
Base-Base interactions energy: -907.805
where: short stacking energy: -384.894
Base-Backbone interact. energy: 0.808
local terms energy: -379.934563
where:
bonds (distance) C4'-P energy: -71.903
bonds (distance) P-C4' energy: -73.898
flat angles C4'-P-C4' energy: -85.908
flat angles P-C4'-P energy: -65.231
tors. eta vs tors. theta energy: -82.994
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: 6
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -1096.504084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.504084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.504084 (E_RNA)
where:
Base-Base interactions energy: -730.625
where: short stacking energy: -309.491
Base-Backbone interact. energy: -0.482
local terms energy: -365.396998
where:
bonds (distance) C4'-P energy: -81.323
bonds (distance) P-C4' energy: -83.559
flat angles C4'-P-C4' energy: -81.830
flat angles P-C4'-P energy: -51.881
tors. eta vs tors. theta energy: -66.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -755.843338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -755.843338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -755.843338 (E_RNA)
where:
Base-Base interactions energy: -465.576
where: short stacking energy: -223.136
Base-Backbone interact. energy: -1.580
local terms energy: -288.687528
where:
bonds (distance) C4'-P energy: -66.892
bonds (distance) P-C4' energy: -83.297
flat angles C4'-P-C4' energy: -63.988
flat angles P-C4'-P energy: -49.242
tors. eta vs tors. theta energy: -25.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -1936.987112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.987112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.987112 (E_RNA)
where:
Base-Base interactions energy: -1404.480
where: short stacking energy: -549.355
Base-Backbone interact. energy: -1.843
local terms energy: -530.664409
where:
bonds (distance) C4'-P energy: -97.178
bonds (distance) P-C4' energy: -90.378
flat angles C4'-P-C4' energy: -120.700
flat angles P-C4'-P energy: -76.132
tors. eta vs tors. theta energy: -146.277
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: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -1901.776613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1901.776613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1901.776613 (E_RNA)
where:
Base-Base interactions energy: -1376.765
where: short stacking energy: -558.825
Base-Backbone interact. energy: -1.312
local terms energy: -523.699535
where:
bonds (distance) C4'-P energy: -85.894
bonds (distance) P-C4' energy: -104.306
flat angles C4'-P-C4' energy: -106.289
flat angles P-C4'-P energy: -67.795
tors. eta vs tors. theta energy: -159.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -1820.077671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.077671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.077671 (E_RNA)
where:
Base-Base interactions energy: -1303.983
where: short stacking energy: -524.613
Base-Backbone interact. energy: -0.400
local terms energy: -515.694064
where:
bonds (distance) C4'-P energy: -98.295
bonds (distance) P-C4' energy: -100.677
flat angles C4'-P-C4' energy: -107.071
flat angles P-C4'-P energy: -71.583
tors. eta vs tors. theta energy: -138.068
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: 331
Temperature: 1.050000
Total energy: -1721.275647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.275647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.275647 (E_RNA)
where:
Base-Base interactions energy: -1227.847
where: short stacking energy: -496.304
Base-Backbone interact. energy: -1.079
local terms energy: -492.349593
where:
bonds (distance) C4'-P energy: -93.121
bonds (distance) P-C4' energy: -106.047
flat angles C4'-P-C4' energy: -104.996
flat angles P-C4'-P energy: -65.147
tors. eta vs tors. theta energy: -123.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -1681.966493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.966493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.966493 (E_RNA)
where:
Base-Base interactions energy: -1194.380
where: short stacking energy: -488.321
Base-Backbone interact. energy: -1.077
local terms energy: -486.508989
where:
bonds (distance) C4'-P energy: -91.216
bonds (distance) P-C4' energy: -101.580
flat angles C4'-P-C4' energy: -97.238
flat angles P-C4'-P energy: -69.406
tors. eta vs tors. theta energy: -127.070
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: 6, replica: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -1460.840248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.840248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.840248 (E_RNA)
where:
Base-Base interactions energy: -988.334
where: short stacking energy: -421.541
Base-Backbone interact. energy: -0.865
local terms energy: -471.640417
where:
bonds (distance) C4'-P energy: -90.259
bonds (distance) P-C4' energy: -95.178
flat angles C4'-P-C4' energy: -117.921
flat angles P-C4'-P energy: -65.768
tors. eta vs tors. theta energy: -102.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -1388.879726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.879726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.879726 (E_RNA)
where:
Base-Base interactions energy: -922.459
where: short stacking energy: -410.940
Base-Backbone interact. energy: -1.421
local terms energy: -464.999777
where:
bonds (distance) C4'-P energy: -94.683
bonds (distance) P-C4' energy: -88.612
flat angles C4'-P-C4' energy: -96.378
flat angles P-C4'-P energy: -72.666
tors. eta vs tors. theta energy: -112.660
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: 8, replica: 5
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -1283.552355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1283.552355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1283.552355 (E_RNA)
where:
Base-Base interactions energy: -909.566
where: short stacking energy: -393.707
Base-Backbone interact. energy: -0.851
local terms energy: -373.135190
where:
bonds (distance) C4'-P energy: -60.757
bonds (distance) P-C4' energy: -85.154
flat angles C4'-P-C4' energy: -88.783
flat angles P-C4'-P energy: -60.277
tors. eta vs tors. theta energy: -78.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -1081.494744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1081.494744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1081.494744 (E_RNA)
where:
Base-Base interactions energy: -728.564
where: short stacking energy: -317.597
Base-Backbone interact. energy: 2.155
local terms energy: -355.085694
where:
bonds (distance) C4'-P energy: -64.315
bonds (distance) P-C4' energy: -86.310
flat angles C4'-P-C4' energy: -87.213
flat angles P-C4'-P energy: -49.345
tors. eta vs tors. theta energy: -67.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -778.369146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.369146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.369146 (E_RNA)
where:
Base-Base interactions energy: -493.243
where: short stacking energy: -226.217
Base-Backbone interact. energy: 2.694
local terms energy: -287.820213
where:
bonds (distance) C4'-P energy: -87.982
bonds (distance) P-C4' energy: -76.313
flat angles C4'-P-C4' energy: -78.887
flat angles P-C4'-P energy: -28.494
tors. eta vs tors. theta energy: -16.144
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: 1, replica: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -1936.501078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.501078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.501078 (E_RNA)
where:
Base-Base interactions energy: -1363.398
where: short stacking energy: -557.150
Base-Backbone interact. energy: -0.855
local terms energy: -572.248698
where:
bonds (distance) C4'-P energy: -89.920
bonds (distance) P-C4' energy: -108.014
flat angles C4'-P-C4' energy: -116.626
flat angles P-C4'-P energy: -96.876
tors. eta vs tors. theta energy: -160.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -1903.532915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.532915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.532915 (E_RNA)
where:
Base-Base interactions energy: -1355.378
where: short stacking energy: -545.656
Base-Backbone interact. energy: -1.697
local terms energy: -546.457924
where:
bonds (distance) C4'-P energy: -99.245
bonds (distance) P-C4' energy: -104.433
flat angles C4'-P-C4' energy: -116.472
flat angles P-C4'-P energy: -72.843
tors. eta vs tors. theta energy: -153.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -1818.949578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.949578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.949578 (E_RNA)
where:
Base-Base interactions energy: -1296.755
where: short stacking energy: -552.841
Base-Backbone interact. energy: -0.411
local terms energy: -521.782961
where:
bonds (distance) C4'-P energy: -87.404
bonds (distance) P-C4' energy: -102.799
flat angles C4'-P-C4' energy: -119.143
flat angles P-C4'-P energy: -67.166
tors. eta vs tors. theta energy: -145.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -1686.356466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.356466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.356466 (E_RNA)
where:
Base-Base interactions energy: -1217.351
where: short stacking energy: -490.722
Base-Backbone interact. energy: 0.183
local terms energy: -469.189102
where:
bonds (distance) C4'-P energy: -78.662
bonds (distance) P-C4' energy: -104.710
flat angles C4'-P-C4' energy: -116.461
flat angles P-C4'-P energy: -64.081
tors. eta vs tors. theta energy: -105.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -1656.703401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1656.703401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1656.703401 (E_RNA)
where:
Base-Base interactions energy: -1164.672
where: short stacking energy: -476.635
Base-Backbone interact. energy: -2.044
local terms energy: -489.987030
where:
bonds (distance) C4'-P energy: -97.595
bonds (distance) P-C4' energy: -97.423
flat angles C4'-P-C4' energy: -99.086
flat angles P-C4'-P energy: -69.772
tors. eta vs tors. theta energy: -126.111
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: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -1453.806462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.806462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.806462 (E_RNA)
where:
Base-Base interactions energy: -1001.397
where: short stacking energy: -434.953
Base-Backbone interact. energy: -2.209
local terms energy: -450.200589
where:
bonds (distance) C4'-P energy: -99.214
bonds (distance) P-C4' energy: -84.117
flat angles C4'-P-C4' energy: -98.667
flat angles P-C4'-P energy: -63.786
tors. eta vs tors. theta energy: -104.417
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: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -1359.709644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.709644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.709644 (E_RNA)
where:
Base-Base interactions energy: -954.929
where: short stacking energy: -410.584
Base-Backbone interact. energy: -2.277
local terms energy: -402.504061
where:
bonds (distance) C4'-P energy: -81.778
bonds (distance) P-C4' energy: -88.469
flat angles C4'-P-C4' energy: -90.946
flat angles P-C4'-P energy: -55.802
tors. eta vs tors. theta energy: -85.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -1265.661647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.661647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.661647 (E_RNA)
where:
Base-Base interactions energy: -845.549
where: short stacking energy: -367.208
Base-Backbone interact. energy: -1.440
local terms energy: -418.672481
where:
bonds (distance) C4'-P energy: -78.350
bonds (distance) P-C4' energy: -87.305
flat angles C4'-P-C4' energy: -86.144
flat angles P-C4'-P energy: -79.662
tors. eta vs tors. theta energy: -87.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -1084.065043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1084.065043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1084.065043 (E_RNA)
where:
Base-Base interactions energy: -739.583
where: short stacking energy: -315.961
Base-Backbone interact. energy: 0.912
local terms energy: -345.393800
where:
bonds (distance) C4'-P energy: -81.946
bonds (distance) P-C4' energy: -86.194
flat angles C4'-P-C4' energy: -77.856
flat angles P-C4'-P energy: -59.387
tors. eta vs tors. theta energy: -40.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -732.053432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -732.053432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -732.053432 (E_RNA)
where:
Base-Base interactions energy: -418.603
where: short stacking energy: -199.234
Base-Backbone interact. energy: -1.621
local terms energy: -311.829575
where:
bonds (distance) C4'-P energy: -70.887
bonds (distance) P-C4' energy: -86.796
flat angles C4'-P-C4' energy: -82.543
flat angles P-C4'-P energy: -49.779
tors. eta vs tors. theta energy: -21.825
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: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -1912.324339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.324339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.324339 (E_RNA)
where:
Base-Base interactions energy: -1336.311
where: short stacking energy: -549.713
Base-Backbone interact. energy: 0.427
local terms energy: -576.440011
where:
bonds (distance) C4'-P energy: -100.584
bonds (distance) P-C4' energy: -99.765
flat angles C4'-P-C4' energy: -124.224
flat angles P-C4'-P energy: -90.571
tors. eta vs tors. theta energy: -161.296
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: 333
Temperature: 0.950000
Total energy: -1888.468793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.468793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.468793 (E_RNA)
where:
Base-Base interactions energy: -1353.999
where: short stacking energy: -537.454
Base-Backbone interact. energy: -1.066
local terms energy: -533.403919
where:
bonds (distance) C4'-P energy: -103.404
bonds (distance) P-C4' energy: -98.865
flat angles C4'-P-C4' energy: -104.329
flat angles P-C4'-P energy: -76.916
tors. eta vs tors. theta energy: -149.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -1831.908936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.908936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.908936 (E_RNA)
where:
Base-Base interactions energy: -1284.999
where: short stacking energy: -535.677
Base-Backbone interact. energy: -3.561
local terms energy: -543.348804
where:
bonds (distance) C4'-P energy: -97.842
bonds (distance) P-C4' energy: -95.655
flat angles C4'-P-C4' energy: -124.640
flat angles P-C4'-P energy: -79.519
tors. eta vs tors. theta energy: -145.692
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: 3
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -1694.484175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.484175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.484175 (E_RNA)
where:
Base-Base interactions energy: -1200.357
where: short stacking energy: -475.010
Base-Backbone interact. energy: -0.878
local terms energy: -493.248624
where:
bonds (distance) C4'-P energy: -93.757
bonds (distance) P-C4' energy: -87.241
flat angles C4'-P-C4' energy: -103.750
flat angles P-C4'-P energy: -70.337
tors. eta vs tors. theta energy: -138.163
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: 333
Temperature: 1.100000
Total energy: -1665.646096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.646096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.646096 (E_RNA)
where:
Base-Base interactions energy: -1193.799
where: short stacking energy: -489.792
Base-Backbone interact. energy: -1.645
local terms energy: -470.202498
where:
bonds (distance) C4'-P energy: -76.555
bonds (distance) P-C4' energy: -89.466
flat angles C4'-P-C4' energy: -97.635
flat angles P-C4'-P energy: -76.060
tors. eta vs tors. theta energy: -130.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -1447.539151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.539151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.539151 (E_RNA)
where:
Base-Base interactions energy: -1000.143
where: short stacking energy: -414.883
Base-Backbone interact. energy: -2.791
local terms energy: -444.605303
where:
bonds (distance) C4'-P energy: -84.667
bonds (distance) P-C4' energy: -84.883
flat angles C4'-P-C4' energy: -105.846
flat angles P-C4'-P energy: -70.457
tors. eta vs tors. theta energy: -98.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -1371.433894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.433894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.433894 (E_RNA)
where:
Base-Base interactions energy: -945.121
where: short stacking energy: -395.340
Base-Backbone interact. energy: 2.762
local terms energy: -429.074667
where:
bonds (distance) C4'-P energy: -92.455
bonds (distance) P-C4' energy: -81.682
flat angles C4'-P-C4' energy: -103.776
flat angles P-C4'-P energy: -61.562
tors. eta vs tors. theta energy: -89.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -1262.032947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.032947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.032947 (E_RNA)
where:
Base-Base interactions energy: -852.594
where: short stacking energy: -366.194
Base-Backbone interact. energy: 5.211
local terms energy: -414.649935
where:
bonds (distance) C4'-P energy: -83.172
bonds (distance) P-C4' energy: -90.678
flat angles C4'-P-C4' energy: -87.135
flat angles P-C4'-P energy: -76.184
tors. eta vs tors. theta energy: -77.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -1065.245686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1065.245686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1065.245686 (E_RNA)
where:
Base-Base interactions energy: -695.272
where: short stacking energy: -289.189
Base-Backbone interact. energy: -1.387
local terms energy: -368.586282
where:
bonds (distance) C4'-P energy: -94.242
bonds (distance) P-C4' energy: -87.430
flat angles C4'-P-C4' energy: -80.832
flat angles P-C4'-P energy: -50.041
tors. eta vs tors. theta energy: -56.042
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: 333
Temperature: 1.350000
Total energy: -712.354464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -712.354464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -712.354464 (E_RNA)
where:
Base-Base interactions energy: -412.573
where: short stacking energy: -215.920
Base-Backbone interact. energy: -1.901
local terms energy: -297.879969
where:
bonds (distance) C4'-P energy: -66.507
bonds (distance) P-C4' energy: -87.113
flat angles C4'-P-C4' energy: -88.511
flat angles P-C4'-P energy: -36.720
tors. eta vs tors. theta energy: -19.029
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: 2
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -1917.032525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.032525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.032525 (E_RNA)
where:
Base-Base interactions energy: -1346.730
where: short stacking energy: -551.841
Base-Backbone interact. energy: 0.814
local terms energy: -571.116529
where:
bonds (distance) C4'-P energy: -101.497
bonds (distance) P-C4' energy: -111.975
flat angles C4'-P-C4' energy: -116.567
flat angles P-C4'-P energy: -83.398
tors. eta vs tors. theta energy: -157.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -1883.864760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.864760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.864760 (E_RNA)
where:
Base-Base interactions energy: -1341.950
where: short stacking energy: -538.330
Base-Backbone interact. energy: -4.065
local terms energy: -537.848842
where:
bonds (distance) C4'-P energy: -98.757
bonds (distance) P-C4' energy: -93.024
flat angles C4'-P-C4' energy: -112.508
flat angles P-C4'-P energy: -87.801
tors. eta vs tors. theta energy: -145.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -1834.276710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.276710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.276710 (E_RNA)
where:
Base-Base interactions energy: -1325.333
where: short stacking energy: -522.515
Base-Backbone interact. energy: -3.231
local terms energy: -505.712631
where:
bonds (distance) C4'-P energy: -97.267
bonds (distance) P-C4' energy: -79.330
flat angles C4'-P-C4' energy: -109.027
flat angles P-C4'-P energy: -80.875
tors. eta vs tors. theta energy: -139.213
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: 3
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -1694.690970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.690970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.690970 (E_RNA)
where:
Base-Base interactions energy: -1172.978
where: short stacking energy: -494.009
Base-Backbone interact. energy: -2.584
local terms energy: -519.128675
where:
bonds (distance) C4'-P energy: -92.107
bonds (distance) P-C4' energy: -100.766
flat angles C4'-P-C4' energy: -114.056
flat angles P-C4'-P energy: -77.137
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: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -1679.568324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.568324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.568324 (E_RNA)
where:
Base-Base interactions energy: -1170.694
where: short stacking energy: -475.381
Base-Backbone interact. energy: -2.306
local terms energy: -506.568033
where:
bonds (distance) C4'-P energy: -101.671
bonds (distance) P-C4' energy: -100.787
flat angles C4'-P-C4' energy: -101.697
flat angles P-C4'-P energy: -74.131
tors. eta vs tors. theta energy: -128.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -1456.053918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.053918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.053918 (E_RNA)
where:
Base-Base interactions energy: -1018.310
where: short stacking energy: -412.390
Base-Backbone interact. energy: -3.844
local terms energy: -433.899695
where:
bonds (distance) C4'-P energy: -91.320
bonds (distance) P-C4' energy: -90.481
flat angles C4'-P-C4' energy: -98.081
flat angles P-C4'-P energy: -58.011
tors. eta vs tors. theta energy: -96.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -1351.695989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1351.695989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1351.695989 (E_RNA)
where:
Base-Base interactions energy: -914.456
where: short stacking energy: -402.282
Base-Backbone interact. energy: -1.099
local terms energy: -436.141272
where:
bonds (distance) C4'-P energy: -79.395
bonds (distance) P-C4' energy: -90.553
flat angles C4'-P-C4' energy: -90.676
flat angles P-C4'-P energy: -74.013
tors. eta vs tors. theta energy: -101.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -1314.859917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.859917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.859917 (E_RNA)
where:
Base-Base interactions energy: -897.836
where: short stacking energy: -390.460
Base-Backbone interact. energy: -1.679
local terms energy: -415.345198
where:
bonds (distance) C4'-P energy: -87.216
bonds (distance) P-C4' energy: -84.146
flat angles C4'-P-C4' energy: -86.698
flat angles P-C4'-P energy: -67.758
tors. eta vs tors. theta energy: -89.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -1074.663386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.663386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.663386 (E_RNA)
where:
Base-Base interactions energy: -696.606
where: short stacking energy: -293.820
Base-Backbone interact. energy: -0.223
local terms energy: -377.834983
where:
bonds (distance) C4'-P energy: -103.411
bonds (distance) P-C4' energy: -87.363
flat angles C4'-P-C4' energy: -92.861
flat angles P-C4'-P energy: -51.381
tors. eta vs tors. theta energy: -42.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -745.563977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -745.563977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -745.563977 (E_RNA)
where:
Base-Base interactions energy: -440.496
where: short stacking energy: -235.506
Base-Backbone interact. energy: 0.923
local terms energy: -305.991114
where:
bonds (distance) C4'-P energy: -75.330
bonds (distance) P-C4' energy: -92.852
flat angles C4'-P-C4' energy: -70.073
flat angles P-C4'-P energy: -34.940
tors. eta vs tors. theta energy: -32.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -1935.065246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.065246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.065246 (E_RNA)
where:
Base-Base interactions energy: -1398.756
where: short stacking energy: -565.425
Base-Backbone interact. energy: 4.463
local terms energy: -540.771653
where:
bonds (distance) C4'-P energy: -99.530
bonds (distance) P-C4' energy: -98.281
flat angles C4'-P-C4' energy: -109.806
flat angles P-C4'-P energy: -76.718
tors. eta vs tors. theta energy: -156.436
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: 2, replica: 1
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -1893.582126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.582126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.582126 (E_RNA)
where:
Base-Base interactions energy: -1357.362
where: short stacking energy: -531.583
Base-Backbone interact. energy: 1.776
local terms energy: -537.996291
where:
bonds (distance) C4'-P energy: -107.549
bonds (distance) P-C4' energy: -95.207
flat angles C4'-P-C4' energy: -116.270
flat angles P-C4'-P energy: -75.569
tors. eta vs tors. theta energy: -143.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -1842.048521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.048521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.048521 (E_RNA)
where:
Base-Base interactions energy: -1323.671
where: short stacking energy: -543.164
Base-Backbone interact. energy: -1.710
local terms energy: -516.667498
where:
bonds (distance) C4'-P energy: -86.321
bonds (distance) P-C4' energy: -103.662
flat angles C4'-P-C4' energy: -111.965
flat angles P-C4'-P energy: -79.454
tors. eta vs tors. theta energy: -135.265
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: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -1702.302015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.302015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.302015 (E_RNA)
where:
Base-Base interactions energy: -1204.699
where: short stacking energy: -490.656
Base-Backbone interact. energy: -4.144
local terms energy: -493.459042
where:
bonds (distance) C4'-P energy: -92.068
bonds (distance) P-C4' energy: -87.639
flat angles C4'-P-C4' energy: -103.988
flat angles P-C4'-P energy: -69.185
tors. eta vs tors. theta energy: -140.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -1665.491745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1665.491745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1665.491745 (E_RNA)
where:
Base-Base interactions energy: -1205.054
where: short stacking energy: -487.610
Base-Backbone interact. energy: -1.005
local terms energy: -459.432863
where:
bonds (distance) C4'-P energy: -75.075
bonds (distance) P-C4' energy: -91.434
flat angles C4'-P-C4' energy: -109.151
flat angles P-C4'-P energy: -65.328
tors. eta vs tors. theta energy: -118.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -1489.110010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.110010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.110010 (E_RNA)
where:
Base-Base interactions energy: -1034.576
where: short stacking energy: -441.050
Base-Backbone interact. energy: -4.002
local terms energy: -450.531875
where:
bonds (distance) C4'-P energy: -80.854
bonds (distance) P-C4' energy: -75.677
flat angles C4'-P-C4' energy: -105.459
flat angles P-C4'-P energy: -61.634
tors. eta vs tors. theta energy: -126.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -1370.236328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1370.236328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1370.236328 (E_RNA)
where:
Base-Base interactions energy: -937.779
where: short stacking energy: -392.670
Base-Backbone interact. energy: -0.549
local terms energy: -431.908980
where:
bonds (distance) C4'-P energy: -80.638
bonds (distance) P-C4' energy: -87.747
flat angles C4'-P-C4' energy: -94.969
flat angles P-C4'-P energy: -64.611
tors. eta vs tors. theta energy: -103.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -1258.824487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.824487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.824487 (E_RNA)
where:
Base-Base interactions energy: -860.564
where: short stacking energy: -349.564
Base-Backbone interact. energy: -1.117
local terms energy: -397.142993
where:
bonds (distance) C4'-P energy: -76.098
bonds (distance) P-C4' energy: -81.610
flat angles C4'-P-C4' energy: -109.379
flat angles P-C4'-P energy: -54.906
tors. eta vs tors. theta energy: -75.150
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: 6
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -1104.765556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1104.765556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1104.765556 (E_RNA)
where:
Base-Base interactions energy: -732.420
where: short stacking energy: -298.990
Base-Backbone interact. energy: -3.231
local terms energy: -369.114406
where:
bonds (distance) C4'-P energy: -83.261
bonds (distance) P-C4' energy: -76.953
flat angles C4'-P-C4' energy: -95.525
flat angles P-C4'-P energy: -56.784
tors. eta vs tors. theta energy: -56.591
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: 10, replica: 10
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -753.704284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -753.704284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -753.704284 (E_RNA)
where:
Base-Base interactions energy: -439.895
where: short stacking energy: -226.864
Base-Backbone interact. energy: -1.080
local terms energy: -312.729029
where:
bonds (distance) C4'-P energy: -91.939
bonds (distance) P-C4' energy: -62.021
flat angles C4'-P-C4' energy: -73.829
flat angles P-C4'-P energy: -53.078
tors. eta vs tors. theta energy: -31.862
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: 1
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -1924.280191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1924.280191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1924.280191 (E_RNA)
where:
Base-Base interactions energy: -1363.536
where: short stacking energy: -532.857
Base-Backbone interact. energy: -2.057
local terms energy: -558.687207
where:
bonds (distance) C4'-P energy: -104.683
bonds (distance) P-C4' energy: -104.321
flat angles C4'-P-C4' energy: -116.981
flat angles P-C4'-P energy: -79.118
tors. eta vs tors. theta energy: -153.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -1911.890202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.890202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.890202 (E_RNA)
where:
Base-Base interactions energy: -1371.710
where: short stacking energy: -544.801
Base-Backbone interact. energy: 5.071
local terms energy: -545.250646
where:
bonds (distance) C4'-P energy: -91.131
bonds (distance) P-C4' energy: -99.118
flat angles C4'-P-C4' energy: -119.433
flat angles P-C4'-P energy: -73.574
tors. eta vs tors. theta energy: -161.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -1832.083889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.083889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.083889 (E_RNA)
where:
Base-Base interactions energy: -1284.661
where: short stacking energy: -528.569
Base-Backbone interact. energy: -3.582
local terms energy: -543.840956
where:
bonds (distance) C4'-P energy: -111.072
bonds (distance) P-C4' energy: -93.541
flat angles C4'-P-C4' energy: -106.069
flat angles P-C4'-P energy: -87.351
tors. eta vs tors. theta energy: -145.809
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: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -1730.915278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.915278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.915278 (E_RNA)
where:
Base-Base interactions energy: -1240.672
where: short stacking energy: -483.056
Base-Backbone interact. energy: 1.483
local terms energy: -491.726549
where:
bonds (distance) C4'-P energy: -84.242
bonds (distance) P-C4' energy: -103.342
flat angles C4'-P-C4' energy: -98.294
flat angles P-C4'-P energy: -75.505
tors. eta vs tors. theta energy: -130.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -1669.674066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.674066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.674066 (E_RNA)
where:
Base-Base interactions energy: -1159.809
where: short stacking energy: -459.160
Base-Backbone interact. energy: -0.428
local terms energy: -509.436941
where:
bonds (distance) C4'-P energy: -92.257
bonds (distance) P-C4' energy: -95.023
flat angles C4'-P-C4' energy: -116.781
flat angles P-C4'-P energy: -78.034
tors. eta vs tors. theta energy: -127.342
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: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -1461.973794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.973794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.973794 (E_RNA)
where:
Base-Base interactions energy: -1055.284
where: short stacking energy: -423.449
Base-Backbone interact. energy: 7.689
local terms energy: -414.378848
where:
bonds (distance) C4'-P energy: -58.515
bonds (distance) P-C4' energy: -102.657
flat angles C4'-P-C4' energy: -97.789
flat angles P-C4'-P energy: -59.025
tors. eta vs tors. theta energy: -96.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -1387.729076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1387.729076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1387.729076 (E_RNA)
where:
Base-Base interactions energy: -948.076
where: short stacking energy: -417.672
Base-Backbone interact. energy: 1.742
local terms energy: -441.395025
where:
bonds (distance) C4'-P energy: -97.695
bonds (distance) P-C4' energy: -87.484
flat angles C4'-P-C4' energy: -89.716
flat angles P-C4'-P energy: -72.325
tors. eta vs tors. theta energy: -94.175
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: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -1253.528496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.528496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.528496 (E_RNA)
where:
Base-Base interactions energy: -841.799
where: short stacking energy: -354.403
Base-Backbone interact. energy: -2.278
local terms energy: -409.451274
where:
bonds (distance) C4'-P energy: -70.613
bonds (distance) P-C4' energy: -106.941
flat angles C4'-P-C4' energy: -92.354
flat angles P-C4'-P energy: -63.319
tors. eta vs tors. theta energy: -76.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -1137.170560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.170560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.170560 (E_RNA)
where:
Base-Base interactions energy: -781.702
where: short stacking energy: -349.179
Base-Backbone interact. energy: -1.726
local terms energy: -353.742307
where:
bonds (distance) C4'-P energy: -86.720
bonds (distance) P-C4' energy: -63.192
flat angles C4'-P-C4' energy: -78.436
flat angles P-C4'-P energy: -61.672
tors. eta vs tors. theta energy: -63.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -752.986475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -752.986475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -752.986475 (E_RNA)
where:
Base-Base interactions energy: -444.602
where: short stacking energy: -231.491
Base-Backbone interact. energy: -0.888
local terms energy: -307.495695
where:
bonds (distance) C4'-P energy: -83.407
bonds (distance) P-C4' energy: -75.297
flat angles C4'-P-C4' energy: -72.374
flat angles P-C4'-P energy: -45.390
tors. eta vs tors. theta energy: -31.028
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: 1
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -1933.822441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.822441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.822441 (E_RNA)
where:
Base-Base interactions energy: -1379.139
where: short stacking energy: -554.059
Base-Backbone interact. energy: -1.460
local terms energy: -553.224107
where:
bonds (distance) C4'-P energy: -95.734
bonds (distance) P-C4' energy: -106.142
flat angles C4'-P-C4' energy: -125.886
flat angles P-C4'-P energy: -70.789
tors. eta vs tors. theta energy: -154.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -1908.595012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.595012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.595012 (E_RNA)
where:
Base-Base interactions energy: -1369.046
where: short stacking energy: -534.664
Base-Backbone interact. energy: 2.745
local terms energy: -542.294440
where:
bonds (distance) C4'-P energy: -91.604
bonds (distance) P-C4' energy: -103.856
flat angles C4'-P-C4' energy: -112.950
flat angles P-C4'-P energy: -82.779
tors. eta vs tors. theta energy: -151.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -1807.299621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.299621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.299621 (E_RNA)
where:
Base-Base interactions energy: -1282.242
where: short stacking energy: -522.365
Base-Backbone interact. energy: -2.375
local terms energy: -522.682776
where:
bonds (distance) C4'-P energy: -97.969
bonds (distance) P-C4' energy: -89.564
flat angles C4'-P-C4' energy: -115.891
flat angles P-C4'-P energy: -73.742
tors. eta vs tors. theta energy: -145.516
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: 4, replica: 3
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -1722.148128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.148128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.148128 (E_RNA)
where:
Base-Base interactions energy: -1229.394
where: short stacking energy: -490.283
Base-Backbone interact. energy: 1.140
local terms energy: -493.893676
where:
bonds (distance) C4'-P energy: -90.071
bonds (distance) P-C4' energy: -92.953
flat angles C4'-P-C4' energy: -111.169
flat angles P-C4'-P energy: -73.833
tors. eta vs tors. theta energy: -125.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -1694.902942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.902942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.902942 (E_RNA)
where:
Base-Base interactions energy: -1215.760
where: short stacking energy: -458.862
Base-Backbone interact. energy: -4.675
local terms energy: -474.467921
where:
bonds (distance) C4'-P energy: -78.746
bonds (distance) P-C4' energy: -80.184
flat angles C4'-P-C4' energy: -108.028
flat angles P-C4'-P energy: -82.332
tors. eta vs tors. theta energy: -125.177
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: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -1484.406069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.406069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.406069 (E_RNA)
where:
Base-Base interactions energy: -1037.690
where: short stacking energy: -456.277
Base-Backbone interact. energy: -1.076
local terms energy: -445.640293
where:
bonds (distance) C4'-P energy: -82.296
bonds (distance) P-C4' energy: -85.918
flat angles C4'-P-C4' energy: -94.148
flat angles P-C4'-P energy: -58.113
tors. eta vs tors. theta energy: -125.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -1359.931132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1359.931132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1359.931132 (E_RNA)
where:
Base-Base interactions energy: -942.227
where: short stacking energy: -390.008
Base-Backbone interact. energy: -2.557
local terms energy: -415.146791
where:
bonds (distance) C4'-P energy: -80.060
bonds (distance) P-C4' energy: -91.579
flat angles C4'-P-C4' energy: -88.985
flat angles P-C4'-P energy: -64.821
tors. eta vs tors. theta energy: -89.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -1160.078808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.078808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.078808 (E_RNA)
where:
Base-Base interactions energy: -762.093
where: short stacking energy: -310.972
Base-Backbone interact. energy: -4.707
local terms energy: -393.278768
where:
bonds (distance) C4'-P energy: -99.962
bonds (distance) P-C4' energy: -79.514
flat angles C4'-P-C4' energy: -85.913
flat angles P-C4'-P energy: -59.396
tors. eta vs tors. theta energy: -68.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -1206.508602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1206.508602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1206.508602 (E_RNA)
where:
Base-Base interactions energy: -827.044
where: short stacking energy: -350.965
Base-Backbone interact. energy: 2.473
local terms energy: -381.936854
where:
bonds (distance) C4'-P energy: -92.466
bonds (distance) P-C4' energy: -74.196
flat angles C4'-P-C4' energy: -91.205
flat angles P-C4'-P energy: -56.833
tors. eta vs tors. theta energy: -67.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -772.542711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.542711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.542711 (E_RNA)
where:
Base-Base interactions energy: -476.249
where: short stacking energy: -231.897
Base-Backbone interact. energy: -1.627
local terms energy: -294.666717
where:
bonds (distance) C4'-P energy: -86.922
bonds (distance) P-C4' energy: -83.359
flat angles C4'-P-C4' energy: -65.829
flat angles P-C4'-P energy: -35.660
tors. eta vs tors. theta energy: -22.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -1940.142343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.142343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.142343 (E_RNA)
where:
Base-Base interactions energy: -1376.267
where: short stacking energy: -561.781
Base-Backbone interact. energy: 7.779
local terms energy: -571.653797
where:
bonds (distance) C4'-P energy: -103.337
bonds (distance) P-C4' energy: -102.341
flat angles C4'-P-C4' energy: -123.316
flat angles P-C4'-P energy: -84.717
tors. eta vs tors. theta energy: -157.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -1919.716805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.716805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.716805 (E_RNA)
where:
Base-Base interactions energy: -1358.659
where: short stacking energy: -576.221
Base-Backbone interact. energy: 1.295
local terms energy: -562.352982
where:
bonds (distance) C4'-P energy: -98.079
bonds (distance) P-C4' energy: -102.188
flat angles C4'-P-C4' energy: -116.645
flat angles P-C4'-P energy: -82.534
tors. eta vs tors. theta energy: -162.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -1767.777951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.777951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.777951 (E_RNA)
where:
Base-Base interactions energy: -1248.693
where: short stacking energy: -517.050
Base-Backbone interact. energy: -0.647
local terms energy: -518.437389
where:
bonds (distance) C4'-P energy: -80.965
bonds (distance) P-C4' energy: -97.538
flat angles C4'-P-C4' energy: -110.454
flat angles P-C4'-P energy: -85.878
tors. eta vs tors. theta energy: -143.603
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: 8
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -1769.114263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.114263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.114263 (E_RNA)
where:
Base-Base interactions energy: -1251.167
where: short stacking energy: -519.628
Base-Backbone interact. energy: -2.337
local terms energy: -515.610728
where:
bonds (distance) C4'-P energy: -91.928
bonds (distance) P-C4' energy: -94.254
flat angles C4'-P-C4' energy: -106.794
flat angles P-C4'-P energy: -76.863
tors. eta vs tors. theta energy: -145.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -1658.811938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.811938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.811938 (E_RNA)
where:
Base-Base interactions energy: -1180.580
where: short stacking energy: -455.642
Base-Backbone interact. energy: -2.712
local terms energy: -475.519876
where:
bonds (distance) C4'-P energy: -99.377
bonds (distance) P-C4' energy: -79.320
flat angles C4'-P-C4' energy: -110.498
flat angles P-C4'-P energy: -61.827
tors. eta vs tors. theta energy: -124.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -1444.960962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.960962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.960962 (E_RNA)
where:
Base-Base interactions energy: -993.618
where: short stacking energy: -435.040
Base-Backbone interact. energy: -2.961
local terms energy: -448.381801
where:
bonds (distance) C4'-P energy: -88.989
bonds (distance) P-C4' energy: -93.404
flat angles C4'-P-C4' energy: -97.823
flat angles P-C4'-P energy: -57.347
tors. eta vs tors. theta energy: -110.819
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: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -1369.022570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.022570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.022570 (E_RNA)
where:
Base-Base interactions energy: -959.887
where: short stacking energy: -410.892
Base-Backbone interact. energy: 0.047
local terms energy: -409.182726
where:
bonds (distance) C4'-P energy: -67.099
bonds (distance) P-C4' energy: -99.900
flat angles C4'-P-C4' energy: -91.348
flat angles P-C4'-P energy: -53.763
tors. eta vs tors. theta energy: -97.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -1193.405181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.405181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.405181 (E_RNA)
where:
Base-Base interactions energy: -780.221
where: short stacking energy: -339.291
Base-Backbone interact. energy: -0.574
local terms energy: -412.609883
where:
bonds (distance) C4'-P energy: -88.195
bonds (distance) P-C4' energy: -91.625
flat angles C4'-P-C4' energy: -87.081
flat angles P-C4'-P energy: -66.433
tors. eta vs tors. theta energy: -79.276
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: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -1193.851855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1193.851855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1193.851855 (E_RNA)
where:
Base-Base interactions energy: -829.250
where: short stacking energy: -326.728
Base-Backbone interact. energy: -2.339
local terms energy: -362.262212
where:
bonds (distance) C4'-P energy: -64.390
bonds (distance) P-C4' energy: -87.922
flat angles C4'-P-C4' energy: -76.972
flat angles P-C4'-P energy: -58.511
tors. eta vs tors. theta energy: -74.467
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: 338
Temperature: 1.350000
Total energy: -801.151798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.151798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.151798 (E_RNA)
where:
Base-Base interactions energy: -461.651
where: short stacking energy: -231.007
Base-Backbone interact. energy: -1.550
local terms energy: -337.950273
where:
bonds (distance) C4'-P energy: -81.204
bonds (distance) P-C4' energy: -87.276
flat angles C4'-P-C4' energy: -94.328
flat angles P-C4'-P energy: -52.763
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: 1, replica: 1
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -1927.038817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.038817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.038817 (E_RNA)
where:
Base-Base interactions energy: -1365.699
where: short stacking energy: -553.400
Base-Backbone interact. energy: 0.617
local terms energy: -561.956675
where:
bonds (distance) C4'-P energy: -105.809
bonds (distance) P-C4' energy: -102.774
flat angles C4'-P-C4' energy: -126.315
flat angles P-C4'-P energy: -73.523
tors. eta vs tors. theta energy: -153.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -1925.891381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.891381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.891381 (E_RNA)
where:
Base-Base interactions energy: -1368.534
where: short stacking energy: -563.024
Base-Backbone interact. energy: -1.372
local terms energy: -555.986008
where:
bonds (distance) C4'-P energy: -98.288
bonds (distance) P-C4' energy: -109.069
flat angles C4'-P-C4' energy: -109.416
flat angles P-C4'-P energy: -78.626
tors. eta vs tors. theta energy: -160.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -1792.032182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.032182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.032182 (E_RNA)
where:
Base-Base interactions energy: -1271.735
where: short stacking energy: -511.103
Base-Backbone interact. energy: 1.119
local terms energy: -521.416544
where:
bonds (distance) C4'-P energy: -89.319
bonds (distance) P-C4' energy: -96.420
flat angles C4'-P-C4' energy: -106.641
flat angles P-C4'-P energy: -84.651
tors. eta vs tors. theta energy: -144.386
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: 8
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -1762.251776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1762.251776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1762.251776 (E_RNA)
where:
Base-Base interactions energy: -1247.164
where: short stacking energy: -500.623
Base-Backbone interact. energy: 0.789
local terms energy: -515.876024
where:
bonds (distance) C4'-P energy: -102.258
bonds (distance) P-C4' energy: -92.424
flat angles C4'-P-C4' energy: -106.621
flat angles P-C4'-P energy: -72.585
tors. eta vs tors. theta energy: -141.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -1653.399974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.399974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.399974 (E_RNA)
where:
Base-Base interactions energy: -1190.367
where: short stacking energy: -464.071
Base-Backbone interact. energy: 1.083
local terms energy: -464.115998
where:
bonds (distance) C4'-P energy: -92.917
bonds (distance) P-C4' energy: -97.805
flat angles C4'-P-C4' energy: -89.961
flat angles P-C4'-P energy: -70.369
tors. eta vs tors. theta energy: -113.064
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: 7
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -1482.064489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.064489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.064489 (E_RNA)
where:
Base-Base interactions energy: -1014.232
where: short stacking energy: -419.136
Base-Backbone interact. energy: -1.391
local terms energy: -466.441527
where:
bonds (distance) C4'-P energy: -100.292
bonds (distance) P-C4' energy: -87.260
flat angles C4'-P-C4' energy: -101.584
flat angles P-C4'-P energy: -65.435
tors. eta vs tors. theta energy: -111.870
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: 9
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -1411.316310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.316310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.316310 (E_RNA)
where:
Base-Base interactions energy: -982.440
where: short stacking energy: -402.522
Base-Backbone interact. energy: 0.440
local terms energy: -429.316008
where:
bonds (distance) C4'-P energy: -84.263
bonds (distance) P-C4' energy: -91.563
flat angles C4'-P-C4' energy: -82.979
flat angles P-C4'-P energy: -65.922
tors. eta vs tors. theta energy: -104.589
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: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -1293.022890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.022890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.022890 (E_RNA)
where:
Base-Base interactions energy: -913.838
where: short stacking energy: -374.274
Base-Backbone interact. energy: 2.102
local terms energy: -381.286767
where:
bonds (distance) C4'-P energy: -72.634
bonds (distance) P-C4' energy: -81.665
flat angles C4'-P-C4' energy: -101.604
flat angles P-C4'-P energy: -46.104
tors. eta vs tors. theta energy: -79.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -1181.027379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.027379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.027379 (E_RNA)
where:
Base-Base interactions energy: -794.261
where: short stacking energy: -335.745
Base-Backbone interact. energy: -1.822
local terms energy: -384.944276
where:
bonds (distance) C4'-P energy: -84.188
bonds (distance) P-C4' energy: -78.103
flat angles C4'-P-C4' energy: -93.380
flat angles P-C4'-P energy: -55.375
tors. eta vs tors. theta energy: -73.899
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: 10
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -765.138642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -765.138642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -765.138642 (E_RNA)
where:
Base-Base interactions energy: -445.341
where: short stacking energy: -218.932
Base-Backbone interact. energy: -1.738
local terms energy: -318.059955
where:
bonds (distance) C4'-P energy: -71.604
bonds (distance) P-C4' energy: -88.286
flat angles C4'-P-C4' energy: -73.790
flat angles P-C4'-P energy: -39.260
tors. eta vs tors. theta energy: -45.120
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: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -1925.390778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.390778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.390778 (E_RNA)
where:
Base-Base interactions energy: -1357.524
where: short stacking energy: -566.804
Base-Backbone interact. energy: -3.424
local terms energy: -564.443320
where:
bonds (distance) C4'-P energy: -104.567
bonds (distance) P-C4' energy: -104.009
flat angles C4'-P-C4' energy: -117.946
flat angles P-C4'-P energy: -77.460
tors. eta vs tors. theta energy: -160.462
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: 1
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -1885.575001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.575001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.575001 (E_RNA)
where:
Base-Base interactions energy: -1355.780
where: short stacking energy: -522.678
Base-Backbone interact. energy: 5.330
local terms energy: -535.124702
where:
bonds (distance) C4'-P energy: -95.430
bonds (distance) P-C4' energy: -113.877
flat angles C4'-P-C4' energy: -108.792
flat angles P-C4'-P energy: -72.221
tors. eta vs tors. theta energy: -144.804
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: 8
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -1842.345495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1842.345495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1842.345495 (E_RNA)
where:
Base-Base interactions energy: -1301.694
where: short stacking energy: -532.785
Base-Backbone interact. energy: -0.959
local terms energy: -539.691949
where:
bonds (distance) C4'-P energy: -101.123
bonds (distance) P-C4' energy: -96.021
flat angles C4'-P-C4' energy: -116.870
flat angles P-C4'-P energy: -80.597
tors. eta vs tors. theta energy: -145.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -1764.106425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.106425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.106425 (E_RNA)
where:
Base-Base interactions energy: -1248.347
where: short stacking energy: -517.216
Base-Backbone interact. energy: -0.502
local terms energy: -515.257792
where:
bonds (distance) C4'-P energy: -89.556
bonds (distance) P-C4' energy: -96.150
flat angles C4'-P-C4' energy: -120.550
flat angles P-C4'-P energy: -61.343
tors. eta vs tors. theta energy: -147.658
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: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -1677.474465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.474465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.474465 (E_RNA)
where:
Base-Base interactions energy: -1195.139
where: short stacking energy: -471.904
Base-Backbone interact. energy: 0.752
local terms energy: -483.087699
where:
bonds (distance) C4'-P energy: -98.890
bonds (distance) P-C4' energy: -86.968
flat angles C4'-P-C4' energy: -103.663
flat angles P-C4'-P energy: -65.978
tors. eta vs tors. theta energy: -127.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -1484.165473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.165473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.165473 (E_RNA)
where:
Base-Base interactions energy: -1045.797
where: short stacking energy: -440.070
Base-Backbone interact. energy: -4.074
local terms energy: -434.293586
where:
bonds (distance) C4'-P energy: -91.913
bonds (distance) P-C4' energy: -78.313
flat angles C4'-P-C4' energy: -94.656
flat angles P-C4'-P energy: -58.993
tors. eta vs tors. theta energy: -110.419
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: 7, replica: 9
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -1376.473750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.473750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.473750 (E_RNA)
where:
Base-Base interactions energy: -952.246
where: short stacking energy: -396.524
Base-Backbone interact. energy: 3.912
local terms energy: -428.139829
where:
bonds (distance) C4'-P energy: -67.890
bonds (distance) P-C4' energy: -91.375
flat angles C4'-P-C4' energy: -108.654
flat angles P-C4'-P energy: -62.153
tors. eta vs tors. theta energy: -98.068
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: 5
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -1230.207889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.207889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.207889 (E_RNA)
where:
Base-Base interactions energy: -859.060
where: short stacking energy: -365.177
Base-Backbone interact. energy: 3.746
local terms energy: -374.893385
where:
bonds (distance) C4'-P energy: -81.438
bonds (distance) P-C4' energy: -78.551
flat angles C4'-P-C4' energy: -84.827
flat angles P-C4'-P energy: -67.591
tors. eta vs tors. theta energy: -62.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -1159.774326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.774326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.774326 (E_RNA)
where:
Base-Base interactions energy: -807.219
where: short stacking energy: -345.782
Base-Backbone interact. energy: -0.838
local terms energy: -351.717672
where:
bonds (distance) C4'-P energy: -70.625
bonds (distance) P-C4' energy: -74.082
flat angles C4'-P-C4' energy: -88.539
flat angles P-C4'-P energy: -43.523
tors. eta vs tors. theta energy: -74.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -872.002312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -872.002312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -872.002312 (E_RNA)
where:
Base-Base interactions energy: -557.449
where: short stacking energy: -259.604
Base-Backbone interact. energy: 0.729
local terms energy: -315.282148
where:
bonds (distance) C4'-P energy: -70.391
bonds (distance) P-C4' energy: -84.658
flat angles C4'-P-C4' energy: -69.727
flat angles P-C4'-P energy: -52.844
tors. eta vs tors. theta energy: -37.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -1964.141113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.141113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.141113 (E_RNA)
where:
Base-Base interactions energy: -1417.113
where: short stacking energy: -568.123
Base-Backbone interact. energy: 0.090
local terms energy: -547.118553
where:
bonds (distance) C4'-P energy: -103.091
bonds (distance) P-C4' energy: -90.723
flat angles C4'-P-C4' energy: -121.585
flat angles P-C4'-P energy: -76.461
tors. eta vs tors. theta energy: -155.259
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: 1
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -1880.649251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.649251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.649251 (E_RNA)
where:
Base-Base interactions energy: -1349.824
where: short stacking energy: -544.463
Base-Backbone interact. energy: -2.174
local terms energy: -528.651393
where:
bonds (distance) C4'-P energy: -91.268
bonds (distance) P-C4' energy: -90.364
flat angles C4'-P-C4' energy: -111.360
flat angles P-C4'-P energy: -89.082
tors. eta vs tors. theta energy: -146.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -1776.538243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.538243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.538243 (E_RNA)
where:
Base-Base interactions energy: -1253.324
where: short stacking energy: -499.863
Base-Backbone interact. energy: -3.597
local terms energy: -519.617277
where:
bonds (distance) C4'-P energy: -103.137
bonds (distance) P-C4' energy: -98.991
flat angles C4'-P-C4' energy: -117.972
flat angles P-C4'-P energy: -63.251
tors. eta vs tors. theta energy: -136.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -1745.945030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.945030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.945030 (E_RNA)
where:
Base-Base interactions energy: -1234.422
where: short stacking energy: -509.967
Base-Backbone interact. energy: -0.911
local terms energy: -510.612370
where:
bonds (distance) C4'-P energy: -89.528
bonds (distance) P-C4' energy: -104.375
flat angles C4'-P-C4' energy: -111.996
flat angles P-C4'-P energy: -61.091
tors. eta vs tors. theta energy: -143.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -1642.933615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.933615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.933615 (E_RNA)
where:
Base-Base interactions energy: -1172.915
where: short stacking energy: -461.089
Base-Backbone interact. energy: -1.835
local terms energy: -468.183316
where:
bonds (distance) C4'-P energy: -85.068
bonds (distance) P-C4' energy: -91.450
flat angles C4'-P-C4' energy: -107.158
flat angles P-C4'-P energy: -63.310
tors. eta vs tors. theta energy: -121.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -1494.052422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.052422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.052422 (E_RNA)
where:
Base-Base interactions energy: -1052.318
where: short stacking energy: -429.480
Base-Backbone interact. energy: -3.050
local terms energy: -438.684041
where:
bonds (distance) C4'-P energy: -83.679
bonds (distance) P-C4' energy: -92.835
flat angles C4'-P-C4' energy: -99.580
flat angles P-C4'-P energy: -54.877
tors. eta vs tors. theta energy: -107.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -1364.906454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1364.906454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1364.906454 (E_RNA)
where:
Base-Base interactions energy: -925.356
where: short stacking energy: -381.645
Base-Backbone interact. energy: 1.100
local terms energy: -440.650252
where:
bonds (distance) C4'-P energy: -93.063
bonds (distance) P-C4' energy: -82.724
flat angles C4'-P-C4' energy: -104.817
flat angles P-C4'-P energy: -60.518
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: 5
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -1228.821461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1228.821461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1228.821461 (E_RNA)
where:
Base-Base interactions energy: -803.924
where: short stacking energy: -335.838
Base-Backbone interact. energy: 0.281
local terms energy: -425.178613
where:
bonds (distance) C4'-P energy: -86.745
bonds (distance) P-C4' energy: -104.009
flat angles C4'-P-C4' energy: -88.031
flat angles P-C4'-P energy: -77.212
tors. eta vs tors. theta energy: -69.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -1146.280534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1146.280534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1146.280534 (E_RNA)
where:
Base-Base interactions energy: -799.795
where: short stacking energy: -329.074
Base-Backbone interact. energy: 2.787
local terms energy: -349.271866
where:
bonds (distance) C4'-P energy: -76.499
bonds (distance) P-C4' energy: -70.129
flat angles C4'-P-C4' energy: -103.029
flat angles P-C4'-P energy: -36.695
tors. eta vs tors. theta energy: -62.920
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: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -817.731919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -817.731919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -817.731919 (E_RNA)
where:
Base-Base interactions energy: -535.208
where: short stacking energy: -228.253
Base-Backbone interact. energy: -1.216
local terms energy: -281.308267
where:
bonds (distance) C4'-P energy: -63.550
bonds (distance) P-C4' energy: -94.067
flat angles C4'-P-C4' energy: -70.522
flat angles P-C4'-P energy: -24.356
tors. eta vs tors. theta energy: -28.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -1960.059832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.059832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.059832 (E_RNA)
where:
Base-Base interactions energy: -1387.552
where: short stacking energy: -552.194
Base-Backbone interact. energy: -2.668
local terms energy: -569.839867
where:
bonds (distance) C4'-P energy: -99.818
bonds (distance) P-C4' energy: -114.296
flat angles C4'-P-C4' energy: -122.619
flat angles P-C4'-P energy: -74.693
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: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -1905.895609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.895609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.895609 (E_RNA)
where:
Base-Base interactions energy: -1352.316
where: short stacking energy: -541.004
Base-Backbone interact. energy: 3.638
local terms energy: -557.217152
where:
bonds (distance) C4'-P energy: -106.861
bonds (distance) P-C4' energy: -101.913
flat angles C4'-P-C4' energy: -119.769
flat angles P-C4'-P energy: -80.665
tors. eta vs tors. theta energy: -148.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -1784.869097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.869097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.869097 (E_RNA)
where:
Base-Base interactions energy: -1263.043
where: short stacking energy: -501.844
Base-Backbone interact. energy: -1.941
local terms energy: -519.884956
where:
bonds (distance) C4'-P energy: -97.023
bonds (distance) P-C4' energy: -94.617
flat angles C4'-P-C4' energy: -117.307
flat angles P-C4'-P energy: -73.563
tors. eta vs tors. theta energy: -137.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -1731.963176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.963176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.963176 (E_RNA)
where:
Base-Base interactions energy: -1234.198
where: short stacking energy: -495.778
Base-Backbone interact. energy: -2.368
local terms energy: -495.397754
where:
bonds (distance) C4'-P energy: -91.288
bonds (distance) P-C4' energy: -101.488
flat angles C4'-P-C4' energy: -98.080
flat angles P-C4'-P energy: -71.120
tors. eta vs tors. theta energy: -133.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -1628.724894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.724894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.724894 (E_RNA)
where:
Base-Base interactions energy: -1142.455
where: short stacking energy: -463.311
Base-Backbone interact. energy: -3.166
local terms energy: -483.103677
where:
bonds (distance) C4'-P energy: -96.357
bonds (distance) P-C4' energy: -89.761
flat angles C4'-P-C4' energy: -111.895
flat angles P-C4'-P energy: -65.666
tors. eta vs tors. theta energy: -119.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -1497.243487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.243487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.243487 (E_RNA)
where:
Base-Base interactions energy: -1054.185
where: short stacking energy: -434.458
Base-Backbone interact. energy: 0.531
local terms energy: -443.590273
where:
bonds (distance) C4'-P energy: -74.788
bonds (distance) P-C4' energy: -98.365
flat angles C4'-P-C4' energy: -87.755
flat angles P-C4'-P energy: -72.806
tors. eta vs tors. theta energy: -109.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -1358.274640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.274640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.274640 (E_RNA)
where:
Base-Base interactions energy: -943.536
where: short stacking energy: -394.100
Base-Backbone interact. energy: 1.304
local terms energy: -416.042685
where:
bonds (distance) C4'-P energy: -88.426
bonds (distance) P-C4' energy: -81.976
flat angles C4'-P-C4' energy: -99.855
flat angles P-C4'-P energy: -59.856
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: 8, replica: 5
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -1270.657116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.657116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.657116 (E_RNA)
where:
Base-Base interactions energy: -878.629
where: short stacking energy: -358.604
Base-Backbone interact. energy: -2.946
local terms energy: -389.081560
where:
bonds (distance) C4'-P energy: -100.557
bonds (distance) P-C4' energy: -71.387
flat angles C4'-P-C4' energy: -89.194
flat angles P-C4'-P energy: -52.147
tors. eta vs tors. theta energy: -75.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -1127.126554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1127.126554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1127.126554 (E_RNA)
where:
Base-Base interactions energy: -760.359
where: short stacking energy: -335.719
Base-Backbone interact. energy: -1.307
local terms energy: -365.460791
where:
bonds (distance) C4'-P energy: -81.971
bonds (distance) P-C4' energy: -76.709
flat angles C4'-P-C4' energy: -83.071
flat angles P-C4'-P energy: -55.264
tors. eta vs tors. theta energy: -68.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -786.631966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -786.631966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -786.631966 (E_RNA)
where:
Base-Base interactions energy: -484.365
where: short stacking energy: -226.952
Base-Backbone interact. energy: 6.371
local terms energy: -308.638631
where:
bonds (distance) C4'-P energy: -84.465
bonds (distance) P-C4' energy: -84.665
flat angles C4'-P-C4' energy: -79.086
flat angles P-C4'-P energy: -46.449
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -1980.049269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.049269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.049269 (E_RNA)
where:
Base-Base interactions energy: -1416.881
where: short stacking energy: -568.632
Base-Backbone interact. energy: -2.005
local terms energy: -561.162635
where:
bonds (distance) C4'-P energy: -97.255
bonds (distance) P-C4' energy: -97.968
flat angles C4'-P-C4' energy: -118.356
flat angles P-C4'-P energy: -81.573
tors. eta vs tors. theta energy: -166.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -1887.656895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.656895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.656895 (E_RNA)
where:
Base-Base interactions energy: -1362.714
where: short stacking energy: -533.644
Base-Backbone interact. energy: -0.924
local terms energy: -524.018775
where:
bonds (distance) C4'-P energy: -98.268
bonds (distance) P-C4' energy: -87.184
flat angles C4'-P-C4' energy: -105.040
flat angles P-C4'-P energy: -87.034
tors. eta vs tors. theta energy: -146.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -1781.191139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.191139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.191139 (E_RNA)
where:
Base-Base interactions energy: -1267.123
where: short stacking energy: -504.473
Base-Backbone interact. energy: -3.445
local terms energy: -510.622800
where:
bonds (distance) C4'-P energy: -104.019
bonds (distance) P-C4' energy: -85.333
flat angles C4'-P-C4' energy: -109.462
flat angles P-C4'-P energy: -83.506
tors. eta vs tors. theta energy: -128.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -1742.006216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.006216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.006216 (E_RNA)
where:
Base-Base interactions energy: -1247.086
where: short stacking energy: -497.832
Base-Backbone interact. energy: 0.004
local terms energy: -494.924130
where:
bonds (distance) C4'-P energy: -94.449
bonds (distance) P-C4' energy: -92.800
flat angles C4'-P-C4' energy: -92.282
flat angles P-C4'-P energy: -70.115
tors. eta vs tors. theta energy: -145.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -1657.085312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.085312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.085312 (E_RNA)
where:
Base-Base interactions energy: -1167.669
where: short stacking energy: -476.821
Base-Backbone interact. energy: -3.342
local terms energy: -486.074848
where:
bonds (distance) C4'-P energy: -87.110
bonds (distance) P-C4' energy: -97.183
flat angles C4'-P-C4' energy: -112.100
flat angles P-C4'-P energy: -73.718
tors. eta vs tors. theta energy: -115.963
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: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -1523.044250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.044250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.044250 (E_RNA)
where:
Base-Base interactions energy: -1049.224
where: short stacking energy: -423.973
Base-Backbone interact. energy: -2.888
local terms energy: -470.932507
where:
bonds (distance) C4'-P energy: -88.992
bonds (distance) P-C4' energy: -104.117
flat angles C4'-P-C4' energy: -108.901
flat angles P-C4'-P energy: -61.441
tors. eta vs tors. theta energy: -107.483
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: 7, replica: 9
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -1443.893005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.893005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.893005 (E_RNA)
where:
Base-Base interactions energy: -1005.382
where: short stacking energy: -400.388
Base-Backbone interact. energy: -1.695
local terms energy: -436.816057
where:
bonds (distance) C4'-P energy: -87.451
bonds (distance) P-C4' energy: -90.962
flat angles C4'-P-C4' energy: -98.362
flat angles P-C4'-P energy: -66.987
tors. eta vs tors. theta energy: -93.054
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: 5
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -1230.032490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.032490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.032490 (E_RNA)
where:
Base-Base interactions energy: -825.786
where: short stacking energy: -351.980
Base-Backbone interact. energy: 10.444
local terms energy: -414.690755
where:
bonds (distance) C4'-P energy: -85.353
bonds (distance) P-C4' energy: -112.338
flat angles C4'-P-C4' energy: -92.176
flat angles P-C4'-P energy: -47.042
tors. eta vs tors. theta energy: -77.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -1103.192403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.192403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.192403 (E_RNA)
where:
Base-Base interactions energy: -732.743
where: short stacking energy: -307.724
Base-Backbone interact. energy: -4.313
local terms energy: -366.136544
where:
bonds (distance) C4'-P energy: -78.049
bonds (distance) P-C4' energy: -79.264
flat angles C4'-P-C4' energy: -87.930
flat angles P-C4'-P energy: -56.362
tors. eta vs tors. theta energy: -64.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -810.622615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.622615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.622615 (E_RNA)
where:
Base-Base interactions energy: -520.088
where: short stacking energy: -245.357
Base-Backbone interact. energy: 1.663
local terms energy: -292.197617
where:
bonds (distance) C4'-P energy: -74.805
bonds (distance) P-C4' energy: -89.027
flat angles C4'-P-C4' energy: -81.524
flat angles P-C4'-P energy: -27.374
tors. eta vs tors. theta energy: -19.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -1947.665483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.665483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.665483 (E_RNA)
where:
Base-Base interactions energy: -1401.154
where: short stacking energy: -558.614
Base-Backbone interact. energy: 5.199
local terms energy: -551.709850
where:
bonds (distance) C4'-P energy: -105.246
bonds (distance) P-C4' energy: -102.147
flat angles C4'-P-C4' energy: -115.997
flat angles P-C4'-P energy: -73.310
tors. eta vs tors. theta energy: -155.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -1905.675422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.675422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.675422 (E_RNA)
where:
Base-Base interactions energy: -1362.990
where: short stacking energy: -557.017
Base-Backbone interact. energy: -2.007
local terms energy: -540.678920
where:
bonds (distance) C4'-P energy: -92.600
bonds (distance) P-C4' energy: -100.284
flat angles C4'-P-C4' energy: -115.425
flat angles P-C4'-P energy: -79.346
tors. eta vs tors. theta energy: -153.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -1751.529751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.529751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.529751 (E_RNA)
where:
Base-Base interactions energy: -1230.861
where: short stacking energy: -497.036
Base-Backbone interact. energy: -3.574
local terms energy: -517.095144
where:
bonds (distance) C4'-P energy: -90.415
bonds (distance) P-C4' energy: -106.131
flat angles C4'-P-C4' energy: -115.406
flat angles P-C4'-P energy: -77.085
tors. eta vs tors. theta energy: -128.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -1743.793659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.793659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.793659 (E_RNA)
where:
Base-Base interactions energy: -1249.433
where: short stacking energy: -498.997
Base-Backbone interact. energy: 4.784
local terms energy: -499.143931
where:
bonds (distance) C4'-P energy: -99.364
bonds (distance) P-C4' energy: -85.026
flat angles C4'-P-C4' energy: -111.692
flat angles P-C4'-P energy: -70.140
tors. eta vs tors. theta energy: -132.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -1652.052779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.052779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.052779 (E_RNA)
where:
Base-Base interactions energy: -1158.731
where: short stacking energy: -469.926
Base-Backbone interact. energy: -2.677
local terms energy: -490.644154
where:
bonds (distance) C4'-P energy: -90.467
bonds (distance) P-C4' energy: -96.561
flat angles C4'-P-C4' energy: -109.387
flat angles P-C4'-P energy: -68.732
tors. eta vs tors. theta energy: -125.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -1546.072719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.072719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.072719 (E_RNA)
where:
Base-Base interactions energy: -1083.608
where: short stacking energy: -435.045
Base-Backbone interact. energy: -1.716
local terms energy: -460.748057
where:
bonds (distance) C4'-P energy: -88.746
bonds (distance) P-C4' energy: -84.401
flat angles C4'-P-C4' energy: -107.049
flat angles P-C4'-P energy: -68.784
tors. eta vs tors. theta energy: -111.768
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: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -1426.796457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.796457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.796457 (E_RNA)
where:
Base-Base interactions energy: -986.523
where: short stacking energy: -386.106
Base-Backbone interact. energy: -0.863
local terms energy: -439.410719
where:
bonds (distance) C4'-P energy: -76.759
bonds (distance) P-C4' energy: -105.873
flat angles C4'-P-C4' energy: -102.390
flat angles P-C4'-P energy: -61.327
tors. eta vs tors. theta energy: -93.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -1264.677880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.677880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.677880 (E_RNA)
where:
Base-Base interactions energy: -871.075
where: short stacking energy: -360.479
Base-Backbone interact. energy: -2.092
local terms energy: -391.510725
where:
bonds (distance) C4'-P energy: -89.583
bonds (distance) P-C4' energy: -76.084
flat angles C4'-P-C4' energy: -83.739
flat angles P-C4'-P energy: -51.945
tors. eta vs tors. theta energy: -90.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -1142.077432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.077432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.077432 (E_RNA)
where:
Base-Base interactions energy: -764.904
where: short stacking energy: -336.747
Base-Backbone interact. energy: -2.492
local terms energy: -374.681151
where:
bonds (distance) C4'-P energy: -87.951
bonds (distance) P-C4' energy: -96.824
flat angles C4'-P-C4' energy: -80.023
flat angles P-C4'-P energy: -41.708
tors. eta vs tors. theta energy: -68.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -810.992848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.992848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.992848 (E_RNA)
where:
Base-Base interactions energy: -497.766
where: short stacking energy: -257.089
Base-Backbone interact. energy: -0.838
local terms energy: -312.388378
where:
bonds (distance) C4'-P energy: -74.604
bonds (distance) P-C4' energy: -83.705
flat angles C4'-P-C4' energy: -71.691
flat angles P-C4'-P energy: -47.935
tors. eta vs tors. theta energy: -34.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -1940.770440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.770440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.770440 (E_RNA)
where:
Base-Base interactions energy: -1372.339
where: short stacking energy: -552.041
Base-Backbone interact. energy: -3.373
local terms energy: -565.058467
where:
bonds (distance) C4'-P energy: -103.341
bonds (distance) P-C4' energy: -113.717
flat angles C4'-P-C4' energy: -111.850
flat angles P-C4'-P energy: -84.449
tors. eta vs tors. theta energy: -151.702
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: 1
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -1908.844569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.844569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.844569 (E_RNA)
where:
Base-Base interactions energy: -1370.510
where: short stacking energy: -538.182
Base-Backbone interact. energy: 3.282
local terms energy: -541.616713
where:
bonds (distance) C4'-P energy: -103.956
bonds (distance) P-C4' energy: -97.548
flat angles C4'-P-C4' energy: -127.156
flat angles P-C4'-P energy: -67.366
tors. eta vs tors. theta energy: -145.591
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: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -1776.263517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.263517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.263517 (E_RNA)
where:
Base-Base interactions energy: -1255.447
where: short stacking energy: -514.744
Base-Backbone interact. energy: -2.197
local terms energy: -518.619734
where:
bonds (distance) C4'-P energy: -95.831
bonds (distance) P-C4' energy: -101.562
flat angles C4'-P-C4' energy: -103.878
flat angles P-C4'-P energy: -75.643
tors. eta vs tors. theta energy: -141.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -1701.171319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.171319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.171319 (E_RNA)
where:
Base-Base interactions energy: -1213.533
where: short stacking energy: -495.113
Base-Backbone interact. energy: 1.919
local terms energy: -489.558077
where:
bonds (distance) C4'-P energy: -88.430
bonds (distance) P-C4' energy: -90.426
flat angles C4'-P-C4' energy: -106.718
flat angles P-C4'-P energy: -75.856
tors. eta vs tors. theta energy: -128.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -1625.041788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1625.041788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1625.041788 (E_RNA)
where:
Base-Base interactions energy: -1129.403
where: short stacking energy: -455.447
Base-Backbone interact. energy: -3.230
local terms energy: -492.408187
where:
bonds (distance) C4'-P energy: -95.731
bonds (distance) P-C4' energy: -98.192
flat angles C4'-P-C4' energy: -108.090
flat angles P-C4'-P energy: -72.724
tors. eta vs tors. theta energy: -117.670
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: 7
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -1492.743615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.743615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.743615 (E_RNA)
where:
Base-Base interactions energy: -1034.837
where: short stacking energy: -440.246
Base-Backbone interact. energy: -0.910
local terms energy: -456.996144
where:
bonds (distance) C4'-P energy: -79.292
bonds (distance) P-C4' energy: -94.526
flat angles C4'-P-C4' energy: -97.845
flat angles P-C4'-P energy: -74.415
tors. eta vs tors. theta energy: -110.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -1438.389278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.389278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.389278 (E_RNA)
where:
Base-Base interactions energy: -1015.590
where: short stacking energy: -417.633
Base-Backbone interact. energy: 2.568
local terms energy: -425.366770
where:
bonds (distance) C4'-P energy: -83.837
bonds (distance) P-C4' energy: -79.886
flat angles C4'-P-C4' energy: -105.525
flat angles P-C4'-P energy: -56.629
tors. eta vs tors. theta energy: -99.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -1292.863548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.863548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.863548 (E_RNA)
where:
Base-Base interactions energy: -893.701
where: short stacking energy: -377.979
Base-Backbone interact. energy: 0.499
local terms energy: -399.662329
where:
bonds (distance) C4'-P energy: -81.095
bonds (distance) P-C4' energy: -89.189
flat angles C4'-P-C4' energy: -101.876
flat angles P-C4'-P energy: -60.500
tors. eta vs tors. theta energy: -67.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -1144.501715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.501715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.501715 (E_RNA)
where:
Base-Base interactions energy: -756.631
where: short stacking energy: -331.586
Base-Backbone interact. energy: -2.016
local terms energy: -385.854595
where:
bonds (distance) C4'-P energy: -85.031
bonds (distance) P-C4' energy: -81.210
flat angles C4'-P-C4' energy: -91.877
flat angles P-C4'-P energy: -58.694
tors. eta vs tors. theta energy: -69.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -779.452270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -779.452270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -779.452270 (E_RNA)
where:
Base-Base interactions energy: -484.110
where: short stacking energy: -227.429
Base-Backbone interact. energy: 0.299
local terms energy: -295.640924
where:
bonds (distance) C4'-P energy: -83.551
bonds (distance) P-C4' energy: -81.835
flat angles C4'-P-C4' energy: -82.748
flat angles P-C4'-P energy: -44.398
tors. eta vs tors. theta energy: -3.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -1925.914564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.914564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.914564 (E_RNA)
where:
Base-Base interactions energy: -1392.904
where: short stacking energy: -540.883
Base-Backbone interact. energy: 2.514
local terms energy: -535.525171
where:
bonds (distance) C4'-P energy: -95.809
bonds (distance) P-C4' energy: -107.384
flat angles C4'-P-C4' energy: -119.688
flat angles P-C4'-P energy: -71.363
tors. eta vs tors. theta energy: -141.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -1914.802329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.802329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.802329 (E_RNA)
where:
Base-Base interactions energy: -1350.502
where: short stacking energy: -533.437
Base-Backbone interact. energy: -1.165
local terms energy: -563.135417
where:
bonds (distance) C4'-P energy: -101.364
bonds (distance) P-C4' energy: -106.283
flat angles C4'-P-C4' energy: -125.223
flat angles P-C4'-P energy: -77.769
tors. eta vs tors. theta energy: -152.496
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: 3, replica: 3
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -1754.530087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.530087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.530087 (E_RNA)
where:
Base-Base interactions energy: -1236.701
where: short stacking energy: -499.734
Base-Backbone interact. energy: -2.723
local terms energy: -515.105948
where:
bonds (distance) C4'-P energy: -81.632
bonds (distance) P-C4' energy: -103.136
flat angles C4'-P-C4' energy: -122.557
flat angles P-C4'-P energy: -67.885
tors. eta vs tors. theta energy: -139.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -1715.892866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.892866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.892866 (E_RNA)
where:
Base-Base interactions energy: -1215.207
where: short stacking energy: -483.961
Base-Backbone interact. energy: -0.488
local terms energy: -500.197882
where:
bonds (distance) C4'-P energy: -91.578
bonds (distance) P-C4' energy: -88.361
flat angles C4'-P-C4' energy: -114.742
flat angles P-C4'-P energy: -74.833
tors. eta vs tors. theta energy: -130.683
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: 4
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -1657.657699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.657699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.657699 (E_RNA)
where:
Base-Base interactions energy: -1186.883
where: short stacking energy: -482.866
Base-Backbone interact. energy: -0.681
local terms energy: -470.093613
where:
bonds (distance) C4'-P energy: -83.412
bonds (distance) P-C4' energy: -98.547
flat angles C4'-P-C4' energy: -95.273
flat angles P-C4'-P energy: -75.023
tors. eta vs tors. theta energy: -117.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -1489.809754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.809754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.809754 (E_RNA)
where:
Base-Base interactions energy: -1042.090
where: short stacking energy: -437.347
Base-Backbone interact. energy: -3.506
local terms energy: -444.213489
where:
bonds (distance) C4'-P energy: -72.764
bonds (distance) P-C4' energy: -87.196
flat angles C4'-P-C4' energy: -102.406
flat angles P-C4'-P energy: -74.464
tors. eta vs tors. theta energy: -107.383
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: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -1413.631380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1413.631380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1413.631380 (E_RNA)
where:
Base-Base interactions energy: -962.882
where: short stacking energy: -409.406
Base-Backbone interact. energy: -1.828
local terms energy: -448.921750
where:
bonds (distance) C4'-P energy: -92.469
bonds (distance) P-C4' energy: -74.783
flat angles C4'-P-C4' energy: -102.797
flat angles P-C4'-P energy: -73.501
tors. eta vs tors. theta energy: -105.372
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: 5
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -1320.763675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.763675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.763675 (E_RNA)
where:
Base-Base interactions energy: -906.150
where: short stacking energy: -379.417
Base-Backbone interact. energy: 2.474
local terms energy: -417.087523
where:
bonds (distance) C4'-P energy: -68.220
bonds (distance) P-C4' energy: -94.891
flat angles C4'-P-C4' energy: -98.220
flat angles P-C4'-P energy: -72.943
tors. eta vs tors. theta energy: -82.813
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: 6
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -1160.059292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.059292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.059292 (E_RNA)
where:
Base-Base interactions energy: -787.330
where: short stacking energy: -340.799
Base-Backbone interact. energy: 2.118
local terms energy: -374.847190
where:
bonds (distance) C4'-P energy: -79.697
bonds (distance) P-C4' energy: -92.570
flat angles C4'-P-C4' energy: -82.380
flat angles P-C4'-P energy: -44.254
tors. eta vs tors. theta energy: -75.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -814.561190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.561190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.561190 (E_RNA)
where:
Base-Base interactions energy: -493.899
where: short stacking energy: -235.995
Base-Backbone interact. energy: 1.265
local terms energy: -321.926424
where:
bonds (distance) C4'-P energy: -74.022
bonds (distance) P-C4' energy: -88.192
flat angles C4'-P-C4' energy: -83.231
flat angles P-C4'-P energy: -56.204
tors. eta vs tors. theta energy: -20.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -1944.783320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.783320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.783320 (E_RNA)
where:
Base-Base interactions energy: -1392.385
where: short stacking energy: -556.041
Base-Backbone interact. energy: 2.613
local terms energy: -555.010967
where:
bonds (distance) C4'-P energy: -101.925
bonds (distance) P-C4' energy: -108.318
flat angles C4'-P-C4' energy: -117.594
flat angles P-C4'-P energy: -77.051
tors. eta vs tors. theta energy: -150.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -1905.696304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.696304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.696304 (E_RNA)
where:
Base-Base interactions energy: -1368.830
where: short stacking energy: -547.263
Base-Backbone interact. energy: -1.285
local terms energy: -535.581645
where:
bonds (distance) C4'-P energy: -92.702
bonds (distance) P-C4' energy: -103.048
flat angles C4'-P-C4' energy: -112.051
flat angles P-C4'-P energy: -82.587
tors. eta vs tors. theta energy: -145.193
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: 3
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -1771.287037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.287037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.287037 (E_RNA)
where:
Base-Base interactions energy: -1255.753
where: short stacking energy: -503.270
Base-Backbone interact. energy: 0.880
local terms energy: -516.414943
where:
bonds (distance) C4'-P energy: -76.563
bonds (distance) P-C4' energy: -114.800
flat angles C4'-P-C4' energy: -97.384
flat angles P-C4'-P energy: -84.749
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: 4, replica: 8
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -1730.968182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.968182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.968182 (E_RNA)
where:
Base-Base interactions energy: -1228.801
where: short stacking energy: -491.752
Base-Backbone interact. energy: -0.726
local terms energy: -501.441568
where:
bonds (distance) C4'-P energy: -93.184
bonds (distance) P-C4' energy: -96.029
flat angles C4'-P-C4' energy: -112.813
flat angles P-C4'-P energy: -71.476
tors. eta vs tors. theta energy: -127.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -1586.048089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1586.048089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1586.048089 (E_RNA)
where:
Base-Base interactions energy: -1124.917
where: short stacking energy: -449.547
Base-Backbone interact. energy: -1.377
local terms energy: -459.753737
where:
bonds (distance) C4'-P energy: -85.182
bonds (distance) P-C4' energy: -103.476
flat angles C4'-P-C4' energy: -94.768
flat angles P-C4'-P energy: -55.716
tors. eta vs tors. theta energy: -120.611
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: 6, replica: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -1551.488309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.488309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.488309 (E_RNA)
where:
Base-Base interactions energy: -1076.544
where: short stacking energy: -447.278
Base-Backbone interact. energy: -1.707
local terms energy: -473.237510
where:
bonds (distance) C4'-P energy: -93.994
bonds (distance) P-C4' energy: -100.798
flat angles C4'-P-C4' energy: -105.691
flat angles P-C4'-P energy: -66.197
tors. eta vs tors. theta energy: -106.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -1452.497065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1452.497065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1452.497065 (E_RNA)
where:
Base-Base interactions energy: -1007.952
where: short stacking energy: -392.708
Base-Backbone interact. energy: 1.208
local terms energy: -445.753064
where:
bonds (distance) C4'-P energy: -88.567
bonds (distance) P-C4' energy: -76.138
flat angles C4'-P-C4' energy: -114.781
flat angles P-C4'-P energy: -70.546
tors. eta vs tors. theta energy: -95.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -1286.106744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.106744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.106744 (E_RNA)
where:
Base-Base interactions energy: -903.064
where: short stacking energy: -374.763
Base-Backbone interact. energy: -2.931
local terms energy: -380.111688
where:
bonds (distance) C4'-P energy: -68.483
bonds (distance) P-C4' energy: -92.617
flat angles C4'-P-C4' energy: -93.450
flat angles P-C4'-P energy: -52.591
tors. eta vs tors. theta energy: -72.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -1131.927321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.927321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.927321 (E_RNA)
where:
Base-Base interactions energy: -747.427
where: short stacking energy: -325.622
Base-Backbone interact. energy: -1.540
local terms energy: -382.960653
where:
bonds (distance) C4'-P energy: -75.739
bonds (distance) P-C4' energy: -91.022
flat angles C4'-P-C4' energy: -87.670
flat angles P-C4'-P energy: -64.599
tors. eta vs tors. theta energy: -63.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -846.268689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -846.268689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -846.268689 (E_RNA)
where:
Base-Base interactions energy: -508.129
where: short stacking energy: -255.014
Base-Backbone interact. energy: -0.472
local terms energy: -337.668090
where:
bonds (distance) C4'-P energy: -98.706
bonds (distance) P-C4' energy: -83.152
flat angles C4'-P-C4' energy: -85.562
flat angles P-C4'-P energy: -38.655
tors. eta vs tors. theta energy: -31.594
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: 1, replica: 1
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -1942.725052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.725052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.725052 (E_RNA)
where:
Base-Base interactions energy: -1391.513
where: short stacking energy: -552.915
Base-Backbone interact. energy: 2.469
local terms energy: -553.681779
where:
bonds (distance) C4'-P energy: -108.376
bonds (distance) P-C4' energy: -107.764
flat angles C4'-P-C4' energy: -120.951
flat angles P-C4'-P energy: -65.034
tors. eta vs tors. theta energy: -151.557
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: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -1886.975100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.975100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.975100 (E_RNA)
where:
Base-Base interactions energy: -1341.766
where: short stacking energy: -547.928
Base-Backbone interact. energy: -3.074
local terms energy: -542.135081
where:
bonds (distance) C4'-P energy: -96.972
bonds (distance) P-C4' energy: -100.339
flat angles C4'-P-C4' energy: -111.488
flat angles P-C4'-P energy: -81.302
tors. eta vs tors. theta energy: -152.033
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: 3
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -1758.832834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.832834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.832834 (E_RNA)
where:
Base-Base interactions energy: -1233.697
where: short stacking energy: -509.421
Base-Backbone interact. energy: -1.076
local terms energy: -524.059826
where:
bonds (distance) C4'-P energy: -84.873
bonds (distance) P-C4' energy: -101.745
flat angles C4'-P-C4' energy: -122.972
flat angles P-C4'-P energy: -77.484
tors. eta vs tors. theta energy: -136.986
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: 8
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -1759.433033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.433033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.433033 (E_RNA)
where:
Base-Base interactions energy: -1233.390
where: short stacking energy: -505.729
Base-Backbone interact. energy: -1.782
local terms energy: -524.260976
where:
bonds (distance) C4'-P energy: -99.185
bonds (distance) P-C4' energy: -100.666
flat angles C4'-P-C4' energy: -120.745
flat angles P-C4'-P energy: -70.895
tors. eta vs tors. theta energy: -132.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -1632.550913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1632.550913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1632.550913 (E_RNA)
where:
Base-Base interactions energy: -1177.681
where: short stacking energy: -472.482
Base-Backbone interact. energy: 2.963
local terms energy: -457.832645
where:
bonds (distance) C4'-P energy: -86.308
bonds (distance) P-C4' energy: -87.102
flat angles C4'-P-C4' energy: -94.572
flat angles P-C4'-P energy: -70.036
tors. eta vs tors. theta energy: -119.816
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: 7
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -1539.383694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1539.383694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1539.383694 (E_RNA)
where:
Base-Base interactions energy: -1066.856
where: short stacking energy: -457.316
Base-Backbone interact. energy: -1.823
local terms energy: -470.704888
where:
bonds (distance) C4'-P energy: -90.245
bonds (distance) P-C4' energy: -91.722
flat angles C4'-P-C4' energy: -100.499
flat angles P-C4'-P energy: -65.434
tors. eta vs tors. theta energy: -122.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -1432.410825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1432.410825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1432.410825 (E_RNA)
where:
Base-Base interactions energy: -980.840
where: short stacking energy: -386.367
Base-Backbone interact. energy: -4.753
local terms energy: -446.817713
where:
bonds (distance) C4'-P energy: -95.684
bonds (distance) P-C4' energy: -91.309
flat angles C4'-P-C4' energy: -101.444
flat angles P-C4'-P energy: -63.647
tors. eta vs tors. theta energy: -94.734
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: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -1263.475981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1263.475981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1263.475981 (E_RNA)
where:
Base-Base interactions energy: -853.637
where: short stacking energy: -352.672
Base-Backbone interact. energy: -0.406
local terms energy: -409.433015
where:
bonds (distance) C4'-P energy: -84.283
bonds (distance) P-C4' energy: -96.138
flat angles C4'-P-C4' energy: -83.525
flat angles P-C4'-P energy: -76.237
tors. eta vs tors. theta energy: -69.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -1110.245424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.245424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.245424 (E_RNA)
where:
Base-Base interactions energy: -730.509
where: short stacking energy: -306.349
Base-Backbone interact. energy: -1.317
local terms energy: -378.420081
where:
bonds (distance) C4'-P energy: -86.578
bonds (distance) P-C4' energy: -98.685
flat angles C4'-P-C4' energy: -84.009
flat angles P-C4'-P energy: -51.682
tors. eta vs tors. theta energy: -57.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -821.140879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -821.140879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -821.140879 (E_RNA)
where:
Base-Base interactions energy: -508.606
where: short stacking energy: -220.105
Base-Backbone interact. energy: -1.359
local terms energy: -311.176454
where:
bonds (distance) C4'-P energy: -86.017
bonds (distance) P-C4' energy: -74.663
flat angles C4'-P-C4' energy: -76.916
flat angles P-C4'-P energy: -52.456
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -1935.841630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.841630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.841630 (E_RNA)
where:
Base-Base interactions energy: -1396.449
where: short stacking energy: -546.394
Base-Backbone interact. energy: 8.781
local terms energy: -548.173541
where:
bonds (distance) C4'-P energy: -103.326
bonds (distance) P-C4' energy: -94.347
flat angles C4'-P-C4' energy: -125.608
flat angles P-C4'-P energy: -76.333
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: 2, replica: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -1885.616982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.616982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.616982 (E_RNA)
where:
Base-Base interactions energy: -1335.784
where: short stacking energy: -552.340
Base-Backbone interact. energy: -1.831
local terms energy: -548.002131
where:
bonds (distance) C4'-P energy: -103.231
bonds (distance) P-C4' energy: -98.105
flat angles C4'-P-C4' energy: -116.664
flat angles P-C4'-P energy: -75.758
tors. eta vs tors. theta energy: -154.245
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: 3, replica: 3
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -1732.847085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.847085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.847085 (E_RNA)
where:
Base-Base interactions energy: -1219.530
where: short stacking energy: -512.454
Base-Backbone interact. energy: 1.915
local terms energy: -515.232211
where:
bonds (distance) C4'-P energy: -95.430
bonds (distance) P-C4' energy: -101.851
flat angles C4'-P-C4' energy: -115.975
flat angles P-C4'-P energy: -64.072
tors. eta vs tors. theta energy: -137.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -1757.309525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.309525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.309525 (E_RNA)
where:
Base-Base interactions energy: -1272.654
where: short stacking energy: -497.764
Base-Backbone interact. energy: -0.424
local terms energy: -484.231934
where:
bonds (distance) C4'-P energy: -81.903
bonds (distance) P-C4' energy: -90.660
flat angles C4'-P-C4' energy: -109.216
flat angles P-C4'-P energy: -67.981
tors. eta vs tors. theta energy: -134.472
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: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -1672.329047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.329047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.329047 (E_RNA)
where:
Base-Base interactions energy: -1199.413
where: short stacking energy: -471.375
Base-Backbone interact. energy: -2.005
local terms energy: -470.910068
where:
bonds (distance) C4'-P energy: -88.463
bonds (distance) P-C4' energy: -88.496
flat angles C4'-P-C4' energy: -100.428
flat angles P-C4'-P energy: -58.801
tors. eta vs tors. theta energy: -134.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -1508.225911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.225911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.225911 (E_RNA)
where:
Base-Base interactions energy: -1035.557
where: short stacking energy: -438.215
Base-Backbone interact. energy: -1.707
local terms energy: -470.961931
where:
bonds (distance) C4'-P energy: -93.789
bonds (distance) P-C4' energy: -94.291
flat angles C4'-P-C4' energy: -104.930
flat angles P-C4'-P energy: -64.800
tors. eta vs tors. theta energy: -113.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -1431.961503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1431.961503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1431.961503 (E_RNA)
where:
Base-Base interactions energy: -992.920
where: short stacking energy: -417.529
Base-Backbone interact. energy: -1.187
local terms energy: -437.854638
where:
bonds (distance) C4'-P energy: -92.383
bonds (distance) P-C4' energy: -88.357
flat angles C4'-P-C4' energy: -100.971
flat angles P-C4'-P energy: -54.285
tors. eta vs tors. theta energy: -101.860
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: 8, replica: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -1296.558762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.558762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.558762 (E_RNA)
where:
Base-Base interactions energy: -915.159
where: short stacking energy: -361.793
Base-Backbone interact. energy: -2.222
local terms energy: -379.177934
where:
bonds (distance) C4'-P energy: -69.648
bonds (distance) P-C4' energy: -88.265
flat angles C4'-P-C4' energy: -88.143
flat angles P-C4'-P energy: -54.586
tors. eta vs tors. theta energy: -78.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -1142.882267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1142.882267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1142.882267 (E_RNA)
where:
Base-Base interactions energy: -742.821
where: short stacking energy: -323.970
Base-Backbone interact. energy: -0.071
local terms energy: -399.990584
where:
bonds (distance) C4'-P energy: -67.691
bonds (distance) P-C4' energy: -87.982
flat angles C4'-P-C4' energy: -101.039
flat angles P-C4'-P energy: -66.439
tors. eta vs tors. theta energy: -76.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -844.042725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.042725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.042725 (E_RNA)
where:
Base-Base interactions energy: -528.586
where: short stacking energy: -257.066
Base-Backbone interact. energy: 0.740
local terms energy: -316.196161
where:
bonds (distance) C4'-P energy: -77.022
bonds (distance) P-C4' energy: -71.236
flat angles C4'-P-C4' energy: -82.034
flat angles P-C4'-P energy: -49.071
tors. eta vs tors. theta energy: -36.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -1946.692348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.692348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.692348 (E_RNA)
where:
Base-Base interactions energy: -1378.016
where: short stacking energy: -549.375
Base-Backbone interact. energy: -0.934
local terms energy: -567.742221
where:
bonds (distance) C4'-P energy: -103.505
bonds (distance) P-C4' energy: -102.658
flat angles C4'-P-C4' energy: -126.097
flat angles P-C4'-P energy: -81.852
tors. eta vs tors. theta energy: -153.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -1900.777631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.777631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.777631 (E_RNA)
where:
Base-Base interactions energy: -1343.030
where: short stacking energy: -531.249
Base-Backbone interact. energy: 1.183
local terms energy: -558.931041
where:
bonds (distance) C4'-P energy: -102.917
bonds (distance) P-C4' energy: -106.591
flat angles C4'-P-C4' energy: -122.346
flat angles P-C4'-P energy: -72.765
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: 3, replica: 3
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -1771.833747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.833747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.833747 (E_RNA)
where:
Base-Base interactions energy: -1246.905
where: short stacking energy: -496.751
Base-Backbone interact. energy: 2.731
local terms energy: -527.660128
where:
bonds (distance) C4'-P energy: -92.581
bonds (distance) P-C4' energy: -100.533
flat angles C4'-P-C4' energy: -112.155
flat angles P-C4'-P energy: -86.407
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: 4, replica: 8
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -1754.283353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.283353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.283353 (E_RNA)
where:
Base-Base interactions energy: -1268.775
where: short stacking energy: -518.458
Base-Backbone interact. energy: -2.404
local terms energy: -483.104482
where:
bonds (distance) C4'-P energy: -90.335
bonds (distance) P-C4' energy: -76.000
flat angles C4'-P-C4' energy: -104.089
flat angles P-C4'-P energy: -70.605
tors. eta vs tors. theta energy: -142.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -1644.786262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.786262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.786262 (E_RNA)
where:
Base-Base interactions energy: -1165.567
where: short stacking energy: -456.225
Base-Backbone interact. energy: -4.755
local terms energy: -474.464169
where:
bonds (distance) C4'-P energy: -89.520
bonds (distance) P-C4' energy: -88.655
flat angles C4'-P-C4' energy: -111.233
flat angles P-C4'-P energy: -62.795
tors. eta vs tors. theta energy: -122.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -1491.056873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1491.056873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1491.056873 (E_RNA)
where:
Base-Base interactions energy: -1046.393
where: short stacking energy: -443.173
Base-Backbone interact. energy: -2.766
local terms energy: -441.898612
where:
bonds (distance) C4'-P energy: -67.206
bonds (distance) P-C4' energy: -97.797
flat angles C4'-P-C4' energy: -97.113
flat angles P-C4'-P energy: -60.162
tors. eta vs tors. theta energy: -119.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -1488.867967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.867967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.867967 (E_RNA)
where:
Base-Base interactions energy: -1020.591
where: short stacking energy: -447.019
Base-Backbone interact. energy: 0.102
local terms energy: -468.378158
where:
bonds (distance) C4'-P energy: -94.766
bonds (distance) P-C4' energy: -83.234
flat angles C4'-P-C4' energy: -102.405
flat angles P-C4'-P energy: -74.725
tors. eta vs tors. theta energy: -113.247
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: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -1289.293992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.293992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.293992 (E_RNA)
where:
Base-Base interactions energy: -903.806
where: short stacking energy: -386.755
Base-Backbone interact. energy: 1.298
local terms energy: -386.785887
where:
bonds (distance) C4'-P energy: -93.974
bonds (distance) P-C4' energy: -70.073
flat angles C4'-P-C4' energy: -83.042
flat angles P-C4'-P energy: -47.234
tors. eta vs tors. theta energy: -92.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -1107.361016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1107.361016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1107.361016 (E_RNA)
where:
Base-Base interactions energy: -724.554
where: short stacking energy: -313.417
Base-Backbone interact. energy: 2.005
local terms energy: -384.812192
where:
bonds (distance) C4'-P energy: -88.548
bonds (distance) P-C4' energy: -87.487
flat angles C4'-P-C4' energy: -89.880
flat angles P-C4'-P energy: -55.247
tors. eta vs tors. theta energy: -63.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -877.743562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -877.743562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -877.743562 (E_RNA)
where:
Base-Base interactions energy: -569.487
where: short stacking energy: -261.775
Base-Backbone interact. energy: -4.400
local terms energy: -303.856711
where:
bonds (distance) C4'-P energy: -75.467
bonds (distance) P-C4' energy: -72.013
flat angles C4'-P-C4' energy: -71.184
flat angles P-C4'-P energy: -54.016
tors. eta vs tors. theta energy: -31.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -1962.053667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.053667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.053667 (E_RNA)
where:
Base-Base interactions energy: -1377.148
where: short stacking energy: -578.186
Base-Backbone interact. energy: -3.322
local terms energy: -581.583338
where:
bonds (distance) C4'-P energy: -108.413
bonds (distance) P-C4' energy: -110.946
flat angles C4'-P-C4' energy: -122.966
flat angles P-C4'-P energy: -79.571
tors. eta vs tors. theta energy: -159.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -1897.289296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1897.289296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1897.289296 (E_RNA)
where:
Base-Base interactions energy: -1367.689
where: short stacking energy: -512.952
Base-Backbone interact. energy: -0.632
local terms energy: -528.968235
where:
bonds (distance) C4'-P energy: -97.596
bonds (distance) P-C4' energy: -105.338
flat angles C4'-P-C4' energy: -117.306
flat angles P-C4'-P energy: -73.105
tors. eta vs tors. theta energy: -135.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -1815.192143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1815.192143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1815.192143 (E_RNA)
where:
Base-Base interactions energy: -1316.441
where: short stacking energy: -526.300
Base-Backbone interact. energy: -2.500
local terms energy: -496.250571
where:
bonds (distance) C4'-P energy: -90.868
bonds (distance) P-C4' energy: -83.782
flat angles C4'-P-C4' energy: -111.004
flat angles P-C4'-P energy: -76.905
tors. eta vs tors. theta energy: -133.692
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: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -1747.641770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.641770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.641770 (E_RNA)
where:
Base-Base interactions energy: -1246.595
where: short stacking energy: -497.395
Base-Backbone interact. energy: -2.502
local terms energy: -498.545005
where:
bonds (distance) C4'-P energy: -91.536
bonds (distance) P-C4' energy: -93.109
flat angles C4'-P-C4' energy: -119.030
flat angles P-C4'-P energy: -57.409
tors. eta vs tors. theta energy: -137.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -1639.816506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.816506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.816506 (E_RNA)
where:
Base-Base interactions energy: -1180.401
where: short stacking energy: -480.152
Base-Backbone interact. energy: -4.062
local terms energy: -455.353129
where:
bonds (distance) C4'-P energy: -58.541
bonds (distance) P-C4' energy: -91.670
flat angles C4'-P-C4' energy: -104.372
flat angles P-C4'-P energy: -78.436
tors. eta vs tors. theta energy: -122.334
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: 6, replica: 9
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -1535.414718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.414718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.414718 (E_RNA)
where:
Base-Base interactions energy: -1058.050
where: short stacking energy: -438.237
Base-Backbone interact. energy: 2.260
local terms energy: -479.625086
where:
bonds (distance) C4'-P energy: -90.045
bonds (distance) P-C4' energy: -105.607
flat angles C4'-P-C4' energy: -101.908
flat angles P-C4'-P energy: -72.112
tors. eta vs tors. theta energy: -109.953
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: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -1437.818781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1437.818781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1437.818781 (E_RNA)
where:
Base-Base interactions energy: -989.219
where: short stacking energy: -408.311
Base-Backbone interact. energy: 4.197
local terms energy: -452.796322
where:
bonds (distance) C4'-P energy: -89.247
bonds (distance) P-C4' energy: -80.705
flat angles C4'-P-C4' energy: -106.325
flat angles P-C4'-P energy: -72.534
tors. eta vs tors. theta energy: -103.985
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: 8, replica: 5
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -1223.788371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.788371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.788371 (E_RNA)
where:
Base-Base interactions energy: -819.347
where: short stacking energy: -349.382
Base-Backbone interact. energy: 0.493
local terms energy: -404.934619
where:
bonds (distance) C4'-P energy: -85.462
bonds (distance) P-C4' energy: -85.013
flat angles C4'-P-C4' energy: -93.802
flat angles P-C4'-P energy: -62.267
tors. eta vs tors. theta energy: -78.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -1131.387491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1131.387491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1131.387491 (E_RNA)
where:
Base-Base interactions energy: -781.790
where: short stacking energy: -328.306
Base-Backbone interact. energy: 0.265
local terms energy: -349.862228
where:
bonds (distance) C4'-P energy: -75.365
bonds (distance) P-C4' energy: -81.531
flat angles C4'-P-C4' energy: -85.445
flat angles P-C4'-P energy: -55.196
tors. eta vs tors. theta energy: -52.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -912.233716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -912.233716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -912.233716 (E_RNA)
where:
Base-Base interactions energy: -607.954
where: short stacking energy: -256.959
Base-Backbone interact. energy: 2.587
local terms energy: -306.866743
where:
bonds (distance) C4'-P energy: -68.301
bonds (distance) P-C4' energy: -85.581
flat angles C4'-P-C4' energy: -75.720
flat angles P-C4'-P energy: -48.549
tors. eta vs tors. theta energy: -28.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -1940.299755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.299755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.299755 (E_RNA)
where:
Base-Base interactions energy: -1373.351
where: short stacking energy: -540.477
Base-Backbone interact. energy: 0.492
local terms energy: -567.440287
where:
bonds (distance) C4'-P energy: -106.197
bonds (distance) P-C4' energy: -115.309
flat angles C4'-P-C4' energy: -109.285
flat angles P-C4'-P energy: -86.232
tors. eta vs tors. theta energy: -150.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -1910.953786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.953786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.953786 (E_RNA)
where:
Base-Base interactions energy: -1371.512
where: short stacking energy: -549.735
Base-Backbone interact. energy: 4.536
local terms energy: -543.977386
where:
bonds (distance) C4'-P energy: -109.019
bonds (distance) P-C4' energy: -89.923
flat angles C4'-P-C4' energy: -121.379
flat angles P-C4'-P energy: -81.859
tors. eta vs tors. theta energy: -141.798
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: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -1807.942766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.942766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.942766 (E_RNA)
where:
Base-Base interactions energy: -1271.161
where: short stacking energy: -520.012
Base-Backbone interact. energy: -3.080
local terms energy: -533.701631
where:
bonds (distance) C4'-P energy: -99.782
bonds (distance) P-C4' energy: -100.407
flat angles C4'-P-C4' energy: -119.683
flat angles P-C4'-P energy: -68.015
tors. eta vs tors. theta energy: -145.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -1713.535768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.535768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.535768 (E_RNA)
where:
Base-Base interactions energy: -1198.667
where: short stacking energy: -487.157
Base-Backbone interact. energy: -1.502
local terms energy: -513.367078
where:
bonds (distance) C4'-P energy: -93.723
bonds (distance) P-C4' energy: -96.685
flat angles C4'-P-C4' energy: -112.142
flat angles P-C4'-P energy: -83.945
tors. eta vs tors. theta energy: -126.871
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: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -1624.105599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.105599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.105599 (E_RNA)
where:
Base-Base interactions energy: -1162.593
where: short stacking energy: -466.102
Base-Backbone interact. energy: 3.416
local terms energy: -464.928026
where:
bonds (distance) C4'-P energy: -103.364
bonds (distance) P-C4' energy: -72.660
flat angles C4'-P-C4' energy: -108.012
flat angles P-C4'-P energy: -66.731
tors. eta vs tors. theta energy: -114.160
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: 9
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -1490.980561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.980561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.980561 (E_RNA)
where:
Base-Base interactions energy: -1046.178
where: short stacking energy: -428.053
Base-Backbone interact. energy: -0.765
local terms energy: -444.037465
where:
bonds (distance) C4'-P energy: -99.001
bonds (distance) P-C4' energy: -84.757
flat angles C4'-P-C4' energy: -89.501
flat angles P-C4'-P energy: -67.857
tors. eta vs tors. theta energy: -102.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -1428.026581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.026581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.026581 (E_RNA)
where:
Base-Base interactions energy: -1011.904
where: short stacking energy: -405.048
Base-Backbone interact. energy: -0.860
local terms energy: -415.262455
where:
bonds (distance) C4'-P energy: -82.251
bonds (distance) P-C4' energy: -84.429
flat angles C4'-P-C4' energy: -102.646
flat angles P-C4'-P energy: -57.164
tors. eta vs tors. theta energy: -88.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -1319.854069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.854069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.854069 (E_RNA)
where:
Base-Base interactions energy: -909.758
where: short stacking energy: -373.061
Base-Backbone interact. energy: -1.540
local terms energy: -408.555642
where:
bonds (distance) C4'-P energy: -81.478
bonds (distance) P-C4' energy: -88.575
flat angles C4'-P-C4' energy: -93.703
flat angles P-C4'-P energy: -69.630
tors. eta vs tors. theta energy: -75.170
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: 6
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -1119.851885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.851885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.851885 (E_RNA)
where:
Base-Base interactions energy: -746.650
where: short stacking energy: -307.080
Base-Backbone interact. energy: -0.192
local terms energy: -373.010350
where:
bonds (distance) C4'-P energy: -88.798
bonds (distance) P-C4' energy: -94.965
flat angles C4'-P-C4' energy: -88.839
flat angles P-C4'-P energy: -48.251
tors. eta vs tors. theta energy: -52.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -958.006903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -958.006903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -958.006903 (E_RNA)
where:
Base-Base interactions energy: -616.113
where: short stacking energy: -278.004
Base-Backbone interact. energy: -0.128
local terms energy: -341.765462
where:
bonds (distance) C4'-P energy: -76.426
bonds (distance) P-C4' energy: -76.796
flat angles C4'-P-C4' energy: -75.945
flat angles P-C4'-P energy: -67.162
tors. eta vs tors. theta energy: -45.437
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: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -1936.876509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.876509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.876509 (E_RNA)
where:
Base-Base interactions energy: -1372.997
where: short stacking energy: -536.763
Base-Backbone interact. energy: 0.996
local terms energy: -564.875213
where:
bonds (distance) C4'-P energy: -95.985
bonds (distance) P-C4' energy: -116.319
flat angles C4'-P-C4' energy: -121.315
flat angles P-C4'-P energy: -78.211
tors. eta vs tors. theta energy: -153.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -1890.500898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.500898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.500898 (E_RNA)
where:
Base-Base interactions energy: -1314.516
where: short stacking energy: -539.274
Base-Backbone interact. energy: -3.259
local terms energy: -572.725802
where:
bonds (distance) C4'-P energy: -106.423
bonds (distance) P-C4' energy: -106.077
flat angles C4'-P-C4' energy: -124.779
flat angles P-C4'-P energy: -87.725
tors. eta vs tors. theta energy: -147.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -1819.722586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.722586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.722586 (E_RNA)
where:
Base-Base interactions energy: -1293.037
where: short stacking energy: -501.985
Base-Backbone interact. energy: -2.813
local terms energy: -523.871837
where:
bonds (distance) C4'-P energy: -95.889
bonds (distance) P-C4' energy: -108.362
flat angles C4'-P-C4' energy: -111.353
flat angles P-C4'-P energy: -72.543
tors. eta vs tors. theta energy: -135.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -1692.978010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.978010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.978010 (E_RNA)
where:
Base-Base interactions energy: -1205.189
where: short stacking energy: -479.230
Base-Backbone interact. energy: -1.326
local terms energy: -486.463465
where:
bonds (distance) C4'-P energy: -83.536
bonds (distance) P-C4' energy: -93.392
flat angles C4'-P-C4' energy: -110.687
flat angles P-C4'-P energy: -74.142
tors. eta vs tors. theta energy: -124.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -1639.708833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.708833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.708833 (E_RNA)
where:
Base-Base interactions energy: -1155.933
where: short stacking energy: -458.500
Base-Backbone interact. energy: -2.981
local terms energy: -480.794744
where:
bonds (distance) C4'-P energy: -85.900
bonds (distance) P-C4' energy: -93.102
flat angles C4'-P-C4' energy: -98.391
flat angles P-C4'-P energy: -70.739
tors. eta vs tors. theta energy: -132.663
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: 9
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -1548.153149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1548.153149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1548.153149 (E_RNA)
where:
Base-Base interactions energy: -1104.621
where: short stacking energy: -443.845
Base-Backbone interact. energy: 2.672
local terms energy: -446.203768
where:
bonds (distance) C4'-P energy: -84.357
bonds (distance) P-C4' energy: -87.738
flat angles C4'-P-C4' energy: -102.258
flat angles P-C4'-P energy: -60.988
tors. eta vs tors. theta energy: -110.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -1418.321488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.321488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.321488 (E_RNA)
where:
Base-Base interactions energy: -976.314
where: short stacking energy: -406.819
Base-Backbone interact. energy: 1.061
local terms energy: -443.068079
where:
bonds (distance) C4'-P energy: -86.422
bonds (distance) P-C4' energy: -91.377
flat angles C4'-P-C4' energy: -107.177
flat angles P-C4'-P energy: -52.939
tors. eta vs tors. theta energy: -105.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -1307.813910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.813910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.813910 (E_RNA)
where:
Base-Base interactions energy: -919.297
where: short stacking energy: -401.035
Base-Backbone interact. energy: -3.361
local terms energy: -385.156579
where:
bonds (distance) C4'-P energy: -77.943
bonds (distance) P-C4' energy: -76.349
flat angles C4'-P-C4' energy: -94.561
flat angles P-C4'-P energy: -40.773
tors. eta vs tors. theta energy: -95.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -1086.732801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1086.732801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1086.732801 (E_RNA)
where:
Base-Base interactions energy: -715.855
where: short stacking energy: -301.853
Base-Backbone interact. energy: -1.884
local terms energy: -368.994437
where:
bonds (distance) C4'-P energy: -80.352
bonds (distance) P-C4' energy: -79.563
flat angles C4'-P-C4' energy: -89.492
flat angles P-C4'-P energy: -58.576
tors. eta vs tors. theta energy: -61.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -893.857154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -893.857154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -893.857154 (E_RNA)
where:
Base-Base interactions energy: -566.945
where: short stacking energy: -268.300
Base-Backbone interact. energy: 4.647
local terms energy: -331.559496
where:
bonds (distance) C4'-P energy: -88.667
bonds (distance) P-C4' energy: -76.803
flat angles C4'-P-C4' energy: -77.899
flat angles P-C4'-P energy: -44.368
tors. eta vs tors. theta energy: -43.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -1927.618564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.618564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.618564 (E_RNA)
where:
Base-Base interactions energy: -1359.961
where: short stacking energy: -537.875
Base-Backbone interact. energy: 3.447
local terms energy: -571.104241
where:
bonds (distance) C4'-P energy: -109.797
bonds (distance) P-C4' energy: -107.445
flat angles C4'-P-C4' energy: -126.093
flat angles P-C4'-P energy: -76.410
tors. eta vs tors. theta energy: -151.360
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: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -1914.713844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.713844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.713844 (E_RNA)
where:
Base-Base interactions energy: -1369.952
where: short stacking energy: -555.661
Base-Backbone interact. energy: -2.809
local terms energy: -541.952111
where:
bonds (distance) C4'-P energy: -99.767
bonds (distance) P-C4' energy: -90.456
flat angles C4'-P-C4' energy: -116.473
flat angles P-C4'-P energy: -78.833
tors. eta vs tors. theta energy: -156.422
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: 354
Temperature: 1.000000
Total energy: -1825.364055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.364055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.364055 (E_RNA)
where:
Base-Base interactions energy: -1295.527
where: short stacking energy: -511.972
Base-Backbone interact. energy: 1.493
local terms energy: -531.330021
where:
bonds (distance) C4'-P energy: -95.454
bonds (distance) P-C4' energy: -84.430
flat angles C4'-P-C4' energy: -121.355
flat angles P-C4'-P energy: -90.690
tors. eta vs tors. theta energy: -139.402
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: 8
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -1748.377277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.377277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.377277 (E_RNA)
where:
Base-Base interactions energy: -1231.382
where: short stacking energy: -471.915
Base-Backbone interact. energy: 2.156
local terms energy: -519.150847
where:
bonds (distance) C4'-P energy: -104.047
bonds (distance) P-C4' energy: -112.200
flat angles C4'-P-C4' energy: -105.228
flat angles P-C4'-P energy: -80.537
tors. eta vs tors. theta energy: -117.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -1649.252854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1649.252854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1649.252854 (E_RNA)
where:
Base-Base interactions energy: -1157.441
where: short stacking energy: -475.203
Base-Backbone interact. energy: -1.890
local terms energy: -489.922113
where:
bonds (distance) C4'-P energy: -76.952
bonds (distance) P-C4' energy: -98.580
flat angles C4'-P-C4' energy: -110.556
flat angles P-C4'-P energy: -70.526
tors. eta vs tors. theta energy: -133.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -1523.623423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.623423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.623423 (E_RNA)
where:
Base-Base interactions energy: -1076.421
where: short stacking energy: -459.739
Base-Backbone interact. energy: -1.094
local terms energy: -446.107878
where:
bonds (distance) C4'-P energy: -89.697
bonds (distance) P-C4' energy: -95.673
flat angles C4'-P-C4' energy: -94.259
flat angles P-C4'-P energy: -50.156
tors. eta vs tors. theta energy: -116.323
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: 7
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -1394.875696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1394.875696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1394.875696 (E_RNA)
where:
Base-Base interactions energy: -972.638
where: short stacking energy: -407.410
Base-Backbone interact. energy: -3.314
local terms energy: -418.923200
where:
bonds (distance) C4'-P energy: -92.905
bonds (distance) P-C4' energy: -80.300
flat angles C4'-P-C4' energy: -86.215
flat angles P-C4'-P energy: -58.804
tors. eta vs tors. theta energy: -100.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -1323.743165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.743165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.743165 (E_RNA)
where:
Base-Base interactions energy: -916.475
where: short stacking energy: -397.920
Base-Backbone interact. energy: -0.029
local terms energy: -407.238989
where:
bonds (distance) C4'-P energy: -86.675
bonds (distance) P-C4' energy: -85.544
flat angles C4'-P-C4' energy: -88.961
flat angles P-C4'-P energy: -52.105
tors. eta vs tors. theta energy: -93.955
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: 6
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -1121.015442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1121.015442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1121.015442 (E_RNA)
where:
Base-Base interactions energy: -754.679
where: short stacking energy: -348.438
Base-Backbone interact. energy: 0.669
local terms energy: -367.005421
where:
bonds (distance) C4'-P energy: -74.684
bonds (distance) P-C4' energy: -92.469
flat angles C4'-P-C4' energy: -86.296
flat angles P-C4'-P energy: -41.002
tors. eta vs tors. theta energy: -72.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -933.722159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -933.722159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -933.722159 (E_RNA)
where:
Base-Base interactions energy: -608.541
where: short stacking energy: -291.128
Base-Backbone interact. energy: -2.099
local terms energy: -323.081592
where:
bonds (distance) C4'-P energy: -74.717
bonds (distance) P-C4' energy: -84.463
flat angles C4'-P-C4' energy: -75.144
flat angles P-C4'-P energy: -49.702
tors. eta vs tors. theta energy: -39.056
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: 1
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -1969.229928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.229928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.229928 (E_RNA)
where:
Base-Base interactions energy: -1409.515
where: short stacking energy: -544.005
Base-Backbone interact. energy: 3.091
local terms energy: -562.805723
where:
bonds (distance) C4'-P energy: -97.648
bonds (distance) P-C4' energy: -111.397
flat angles C4'-P-C4' energy: -121.168
flat angles P-C4'-P energy: -87.821
tors. eta vs tors. theta energy: -144.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -1885.952240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.952240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.952240 (E_RNA)
where:
Base-Base interactions energy: -1342.971
where: short stacking energy: -553.661
Base-Backbone interact. energy: -0.083
local terms energy: -542.897838
where:
bonds (distance) C4'-P energy: -104.930
bonds (distance) P-C4' energy: -97.912
flat angles C4'-P-C4' energy: -109.717
flat angles P-C4'-P energy: -77.868
tors. eta vs tors. theta energy: -152.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -1829.629887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1829.629887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1829.629887 (E_RNA)
where:
Base-Base interactions energy: -1307.456
where: short stacking energy: -533.432
Base-Backbone interact. energy: -5.457
local terms energy: -516.717164
where:
bonds (distance) C4'-P energy: -78.158
bonds (distance) P-C4' energy: -95.070
flat angles C4'-P-C4' energy: -129.218
flat angles P-C4'-P energy: -73.366
tors. eta vs tors. theta energy: -140.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -1679.137400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.137400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.137400 (E_RNA)
where:
Base-Base interactions energy: -1191.629
where: short stacking energy: -461.037
Base-Backbone interact. energy: -0.407
local terms energy: -487.100543
where:
bonds (distance) C4'-P energy: -86.493
bonds (distance) P-C4' energy: -92.205
flat angles C4'-P-C4' energy: -114.735
flat angles P-C4'-P energy: -78.536
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: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -1674.782321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.782321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.782321 (E_RNA)
where:
Base-Base interactions energy: -1169.102
where: short stacking energy: -460.048
Base-Backbone interact. energy: -2.178
local terms energy: -503.502910
where:
bonds (distance) C4'-P energy: -97.727
bonds (distance) P-C4' energy: -97.533
flat angles C4'-P-C4' energy: -109.846
flat angles P-C4'-P energy: -72.916
tors. eta vs tors. theta energy: -125.481
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: 6, replica: 9
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -1483.108775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.108775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.108775 (E_RNA)
where:
Base-Base interactions energy: -1046.329
where: short stacking energy: -422.620
Base-Backbone interact. energy: -0.340
local terms energy: -436.439825
where:
bonds (distance) C4'-P energy: -93.622
bonds (distance) P-C4' energy: -97.436
flat angles C4'-P-C4' energy: -95.564
flat angles P-C4'-P energy: -58.724
tors. eta vs tors. theta energy: -91.093
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: 7
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -1419.023231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.023231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.023231 (E_RNA)
where:
Base-Base interactions energy: -986.132
where: short stacking energy: -410.341
Base-Backbone interact. energy: 0.606
local terms energy: -433.497480
where:
bonds (distance) C4'-P energy: -73.919
bonds (distance) P-C4' energy: -90.856
flat angles C4'-P-C4' energy: -105.113
flat angles P-C4'-P energy: -62.064
tors. eta vs tors. theta energy: -101.545
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: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -1333.580336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.580336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.580336 (E_RNA)
where:
Base-Base interactions energy: -942.676
where: short stacking energy: -392.345
Base-Backbone interact. energy: 5.821
local terms energy: -396.724655
where:
bonds (distance) C4'-P energy: -82.438
bonds (distance) P-C4' energy: -79.231
flat angles C4'-P-C4' energy: -83.741
flat angles P-C4'-P energy: -60.277
tors. eta vs tors. theta energy: -91.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -1106.623596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1106.623596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1106.623596 (E_RNA)
where:
Base-Base interactions energy: -725.837
where: short stacking energy: -305.976
Base-Backbone interact. energy: -2.289
local terms energy: -378.497412
where:
bonds (distance) C4'-P energy: -84.671
bonds (distance) P-C4' energy: -98.032
flat angles C4'-P-C4' energy: -78.628
flat angles P-C4'-P energy: -64.126
tors. eta vs tors. theta energy: -53.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -965.911573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -965.911573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -965.911573 (E_RNA)
where:
Base-Base interactions energy: -620.283
where: short stacking energy: -295.716
Base-Backbone interact. energy: -1.592
local terms energy: -344.036081
where:
bonds (distance) C4'-P energy: -83.027
bonds (distance) P-C4' energy: -88.976
flat angles C4'-P-C4' energy: -62.463
flat angles P-C4'-P energy: -63.638
tors. eta vs tors. theta energy: -45.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -1941.811792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.811792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.811792 (E_RNA)
where:
Base-Base interactions energy: -1395.635
where: short stacking energy: -543.762
Base-Backbone interact. energy: 10.701
local terms energy: -556.878006
where:
bonds (distance) C4'-P energy: -85.469
bonds (distance) P-C4' energy: -111.149
flat angles C4'-P-C4' energy: -116.366
flat angles P-C4'-P energy: -84.581
tors. eta vs tors. theta energy: -159.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -1886.699144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.699144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.699144 (E_RNA)
where:
Base-Base interactions energy: -1325.528
where: short stacking energy: -530.558
Base-Backbone interact. energy: -3.976
local terms energy: -557.195032
where:
bonds (distance) C4'-P energy: -103.989
bonds (distance) P-C4' energy: -106.338
flat angles C4'-P-C4' energy: -102.507
flat angles P-C4'-P energy: -89.181
tors. eta vs tors. theta energy: -155.180
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: 3
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -1816.385738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.385738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.385738 (E_RNA)
where:
Base-Base interactions energy: -1299.546
where: short stacking energy: -515.866
Base-Backbone interact. energy: -0.792
local terms energy: -516.047729
where:
bonds (distance) C4'-P energy: -100.542
bonds (distance) P-C4' energy: -90.860
flat angles C4'-P-C4' energy: -118.695
flat angles P-C4'-P energy: -72.272
tors. eta vs tors. theta energy: -133.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -1702.679002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.679002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.679002 (E_RNA)
where:
Base-Base interactions energy: -1212.964
where: short stacking energy: -486.410
Base-Backbone interact. energy: -3.000
local terms energy: -486.714884
where:
bonds (distance) C4'-P energy: -98.287
bonds (distance) P-C4' energy: -93.853
flat angles C4'-P-C4' energy: -97.758
flat angles P-C4'-P energy: -68.595
tors. eta vs tors. theta energy: -128.222
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: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -1696.747186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1696.747186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1696.747186 (E_RNA)
where:
Base-Base interactions energy: -1230.065
where: short stacking energy: -512.430
Base-Backbone interact. energy: 0.864
local terms energy: -467.545614
where:
bonds (distance) C4'-P energy: -82.056
bonds (distance) P-C4' energy: -75.072
flat angles C4'-P-C4' energy: -113.332
flat angles P-C4'-P energy: -71.355
tors. eta vs tors. theta energy: -125.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -1497.081357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.081357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.081357 (E_RNA)
where:
Base-Base interactions energy: -1056.828
where: short stacking energy: -435.036
Base-Backbone interact. energy: -1.147
local terms energy: -439.105806
where:
bonds (distance) C4'-P energy: -85.512
bonds (distance) P-C4' energy: -88.543
flat angles C4'-P-C4' energy: -101.013
flat angles P-C4'-P energy: -74.812
tors. eta vs tors. theta energy: -89.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -1448.641517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.641517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.641517 (E_RNA)
where:
Base-Base interactions energy: -1014.646
where: short stacking energy: -385.519
Base-Backbone interact. energy: -2.400
local terms energy: -431.595104
where:
bonds (distance) C4'-P energy: -91.942
bonds (distance) P-C4' energy: -98.590
flat angles C4'-P-C4' energy: -97.548
flat angles P-C4'-P energy: -56.067
tors. eta vs tors. theta energy: -87.448
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: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -1284.688299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.688299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.688299 (E_RNA)
where:
Base-Base interactions energy: -872.710
where: short stacking energy: -348.601
Base-Backbone interact. energy: -1.599
local terms energy: -410.378974
where:
bonds (distance) C4'-P energy: -88.274
bonds (distance) P-C4' energy: -95.693
flat angles C4'-P-C4' energy: -88.798
flat angles P-C4'-P energy: -59.077
tors. eta vs tors. theta energy: -78.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -1132.649791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1132.649791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1132.649791 (E_RNA)
where:
Base-Base interactions energy: -740.019
where: short stacking energy: -339.058
Base-Backbone interact. energy: -0.684
local terms energy: -391.946241
where:
bonds (distance) C4'-P energy: -94.688
bonds (distance) P-C4' energy: -83.173
flat angles C4'-P-C4' energy: -95.510
flat angles P-C4'-P energy: -56.195
tors. eta vs tors. theta energy: -62.381
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: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -908.692604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -908.692604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -908.692604 (E_RNA)
where:
Base-Base interactions energy: -565.620
where: short stacking energy: -251.035
Base-Backbone interact. energy: -2.656
local terms energy: -340.416802
where:
bonds (distance) C4'-P energy: -75.298
bonds (distance) P-C4' energy: -81.502
flat angles C4'-P-C4' energy: -88.939
flat angles P-C4'-P energy: -57.287
tors. eta vs tors. theta energy: -37.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -1936.755824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.755824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.755824 (E_RNA)
where:
Base-Base interactions energy: -1380.984
where: short stacking energy: -544.798
Base-Backbone interact. energy: 3.290
local terms energy: -559.061828
where:
bonds (distance) C4'-P energy: -106.589
bonds (distance) P-C4' energy: -108.042
flat angles C4'-P-C4' energy: -125.747
flat angles P-C4'-P energy: -67.647
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: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -1906.659128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.659128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.659128 (E_RNA)
where:
Base-Base interactions energy: -1362.296
where: short stacking energy: -558.165
Base-Backbone interact. energy: -5.424
local terms energy: -538.939328
where:
bonds (distance) C4'-P energy: -96.120
bonds (distance) P-C4' energy: -80.647
flat angles C4'-P-C4' energy: -122.118
flat angles P-C4'-P energy: -77.515
tors. eta vs tors. theta energy: -162.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -1822.801574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.801574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.801574 (E_RNA)
where:
Base-Base interactions energy: -1282.121
where: short stacking energy: -535.705
Base-Backbone interact. energy: -1.897
local terms energy: -538.784468
where:
bonds (distance) C4'-P energy: -100.213
bonds (distance) P-C4' energy: -107.979
flat angles C4'-P-C4' energy: -106.347
flat angles P-C4'-P energy: -70.728
tors. eta vs tors. theta energy: -153.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -1684.581356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1684.581356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1684.581356 (E_RNA)
where:
Base-Base interactions energy: -1194.850
where: short stacking energy: -498.236
Base-Backbone interact. energy: -1.505
local terms energy: -488.225811
where:
bonds (distance) C4'-P energy: -90.087
bonds (distance) P-C4' energy: -95.560
flat angles C4'-P-C4' energy: -105.911
flat angles P-C4'-P energy: -63.921
tors. eta vs tors. theta energy: -132.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -1670.038984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.038984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.038984 (E_RNA)
where:
Base-Base interactions energy: -1191.523
where: short stacking energy: -491.958
Base-Backbone interact. energy: 0.108
local terms energy: -478.624042
where:
bonds (distance) C4'-P energy: -74.934
bonds (distance) P-C4' energy: -101.663
flat angles C4'-P-C4' energy: -106.154
flat angles P-C4'-P energy: -68.767
tors. eta vs tors. theta energy: -127.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -1488.844860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.844860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.844860 (E_RNA)
where:
Base-Base interactions energy: -1038.285
where: short stacking energy: -428.775
Base-Backbone interact. energy: -2.244
local terms energy: -448.316170
where:
bonds (distance) C4'-P energy: -87.470
bonds (distance) P-C4' energy: -92.818
flat angles C4'-P-C4' energy: -91.411
flat angles P-C4'-P energy: -75.054
tors. eta vs tors. theta energy: -101.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -1426.516080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.516080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.516080 (E_RNA)
where:
Base-Base interactions energy: -1014.441
where: short stacking energy: -429.975
Base-Backbone interact. energy: -1.835
local terms energy: -410.239661
where:
bonds (distance) C4'-P energy: -76.981
bonds (distance) P-C4' energy: -96.096
flat angles C4'-P-C4' energy: -91.034
flat angles P-C4'-P energy: -51.000
tors. eta vs tors. theta energy: -95.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -1195.688845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.688845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.688845 (E_RNA)
where:
Base-Base interactions energy: -826.053
where: short stacking energy: -354.935
Base-Backbone interact. energy: 1.596
local terms energy: -371.231670
where:
bonds (distance) C4'-P energy: -74.390
bonds (distance) P-C4' energy: -87.264
flat angles C4'-P-C4' energy: -91.939
flat angles P-C4'-P energy: -47.331
tors. eta vs tors. theta energy: -70.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -1136.553258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.553258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.553258 (E_RNA)
where:
Base-Base interactions energy: -794.522
where: short stacking energy: -329.593
Base-Backbone interact. energy: -2.934
local terms energy: -339.097898
where:
bonds (distance) C4'-P energy: -69.128
bonds (distance) P-C4' energy: -83.036
flat angles C4'-P-C4' energy: -76.953
flat angles P-C4'-P energy: -44.730
tors. eta vs tors. theta energy: -65.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -882.289615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -882.289615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -882.289615 (E_RNA)
where:
Base-Base interactions energy: -562.603
where: short stacking energy: -267.928
Base-Backbone interact. energy: -0.144
local terms energy: -319.542969
where:
bonds (distance) C4'-P energy: -86.876
bonds (distance) P-C4' energy: -84.363
flat angles C4'-P-C4' energy: -77.841
flat angles P-C4'-P energy: -31.752
tors. eta vs tors. theta energy: -38.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -1944.480800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.480800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.480800 (E_RNA)
where:
Base-Base interactions energy: -1399.555
where: short stacking energy: -562.022
Base-Backbone interact. energy: 4.203
local terms energy: -549.128497
where:
bonds (distance) C4'-P energy: -103.120
bonds (distance) P-C4' energy: -93.018
flat angles C4'-P-C4' energy: -118.062
flat angles P-C4'-P energy: -79.464
tors. eta vs tors. theta energy: -155.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -1891.907740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.907740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.907740 (E_RNA)
where:
Base-Base interactions energy: -1356.201
where: short stacking energy: -553.454
Base-Backbone interact. energy: -3.093
local terms energy: -532.614529
where:
bonds (distance) C4'-P energy: -95.184
bonds (distance) P-C4' energy: -102.656
flat angles C4'-P-C4' energy: -116.427
flat angles P-C4'-P energy: -67.374
tors. eta vs tors. theta energy: -150.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -1768.265952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.265952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.265952 (E_RNA)
where:
Base-Base interactions energy: -1253.253
where: short stacking energy: -510.080
Base-Backbone interact. energy: -2.816
local terms energy: -512.197231
where:
bonds (distance) C4'-P energy: -101.072
bonds (distance) P-C4' energy: -97.093
flat angles C4'-P-C4' energy: -103.827
flat angles P-C4'-P energy: -65.262
tors. eta vs tors. theta energy: -144.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -1723.565644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1723.565644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1723.565644 (E_RNA)
where:
Base-Base interactions energy: -1221.636
where: short stacking energy: -478.500
Base-Backbone interact. energy: -2.485
local terms energy: -499.444597
where:
bonds (distance) C4'-P energy: -90.984
bonds (distance) P-C4' energy: -99.214
flat angles C4'-P-C4' energy: -101.002
flat angles P-C4'-P energy: -80.858
tors. eta vs tors. theta energy: -127.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -1666.536514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.536514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.536514 (E_RNA)
where:
Base-Base interactions energy: -1187.980
where: short stacking energy: -479.673
Base-Backbone interact. energy: 3.456
local terms energy: -482.012315
where:
bonds (distance) C4'-P energy: -88.398
bonds (distance) P-C4' energy: -81.085
flat angles C4'-P-C4' energy: -113.570
flat angles P-C4'-P energy: -67.843
tors. eta vs tors. theta energy: -131.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -1523.586796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.586796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.586796 (E_RNA)
where:
Base-Base interactions energy: -1085.822
where: short stacking energy: -428.639
Base-Backbone interact. energy: 1.571
local terms energy: -439.335383
where:
bonds (distance) C4'-P energy: -79.531
bonds (distance) P-C4' energy: -92.046
flat angles C4'-P-C4' energy: -102.334
flat angles P-C4'-P energy: -57.393
tors. eta vs tors. theta energy: -108.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -1461.422530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.422530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.422530 (E_RNA)
where:
Base-Base interactions energy: -1014.350
where: short stacking energy: -425.623
Base-Backbone interact. energy: -0.887
local terms energy: -446.185187
where:
bonds (distance) C4'-P energy: -84.249
bonds (distance) P-C4' energy: -95.866
flat angles C4'-P-C4' energy: -96.712
flat angles P-C4'-P energy: -65.739
tors. eta vs tors. theta energy: -103.619
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: 5
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -1322.159075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.159075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.159075 (E_RNA)
where:
Base-Base interactions energy: -947.071
where: short stacking energy: -377.711
Base-Backbone interact. energy: 1.139
local terms energy: -376.227208
where:
bonds (distance) C4'-P energy: -77.206
bonds (distance) P-C4' energy: -73.162
flat angles C4'-P-C4' energy: -83.632
flat angles P-C4'-P energy: -64.963
tors. eta vs tors. theta energy: -77.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -1138.808032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.808032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.808032 (E_RNA)
where:
Base-Base interactions energy: -773.163
where: short stacking energy: -331.157
Base-Backbone interact. energy: -2.853
local terms energy: -362.791653
where:
bonds (distance) C4'-P energy: -68.832
bonds (distance) P-C4' energy: -78.400
flat angles C4'-P-C4' energy: -85.077
flat angles P-C4'-P energy: -52.530
tors. eta vs tors. theta energy: -77.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -852.168786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -852.168786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -852.168786 (E_RNA)
where:
Base-Base interactions energy: -546.675
where: short stacking energy: -264.150
Base-Backbone interact. energy: 1.936
local terms energy: -307.430631
where:
bonds (distance) C4'-P energy: -68.133
bonds (distance) P-C4' energy: -89.167
flat angles C4'-P-C4' energy: -82.768
flat angles P-C4'-P energy: -40.044
tors. eta vs tors. theta energy: -27.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -1964.240451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.240451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.240451 (E_RNA)
where:
Base-Base interactions energy: -1387.392
where: short stacking energy: -552.006
Base-Backbone interact. energy: 3.176
local terms energy: -580.023871
where:
bonds (distance) C4'-P energy: -114.531
bonds (distance) P-C4' energy: -110.204
flat angles C4'-P-C4' energy: -116.210
flat angles P-C4'-P energy: -86.988
tors. eta vs tors. theta energy: -152.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -1925.967877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.967877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.967877 (E_RNA)
where:
Base-Base interactions energy: -1361.962
where: short stacking energy: -571.517
Base-Backbone interact. energy: -4.583
local terms energy: -559.423680
where:
bonds (distance) C4'-P energy: -90.748
bonds (distance) P-C4' energy: -105.325
flat angles C4'-P-C4' energy: -113.195
flat angles P-C4'-P energy: -90.677
tors. eta vs tors. theta energy: -159.479
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: 3, replica: 3
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -1790.644102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1790.644102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1790.644102 (E_RNA)
where:
Base-Base interactions energy: -1258.831
where: short stacking energy: -501.033
Base-Backbone interact. energy: 0.311
local terms energy: -532.124287
where:
bonds (distance) C4'-P energy: -95.545
bonds (distance) P-C4' energy: -101.173
flat angles C4'-P-C4' energy: -113.686
flat angles P-C4'-P energy: -74.552
tors. eta vs tors. theta energy: -147.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -1768.538109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.538109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.538109 (E_RNA)
where:
Base-Base interactions energy: -1253.317
where: short stacking energy: -520.587
Base-Backbone interact. energy: -4.594
local terms energy: -510.627122
where:
bonds (distance) C4'-P energy: -92.061
bonds (distance) P-C4' energy: -91.009
flat angles C4'-P-C4' energy: -116.030
flat angles P-C4'-P energy: -69.950
tors. eta vs tors. theta energy: -141.577
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: 8
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -1657.640510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.640510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.640510 (E_RNA)
where:
Base-Base interactions energy: -1170.118
where: short stacking energy: -476.652
Base-Backbone interact. energy: -2.995
local terms energy: -484.527594
where:
bonds (distance) C4'-P energy: -90.596
bonds (distance) P-C4' energy: -82.084
flat angles C4'-P-C4' energy: -101.915
flat angles P-C4'-P energy: -78.354
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: 6, replica: 7
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -1500.497303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.497303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.497303 (E_RNA)
where:
Base-Base interactions energy: -1022.252
where: short stacking energy: -417.167
Base-Backbone interact. energy: -0.527
local terms energy: -477.717770
where:
bonds (distance) C4'-P energy: -103.387
bonds (distance) P-C4' energy: -89.379
flat angles C4'-P-C4' energy: -101.816
flat angles P-C4'-P energy: -61.375
tors. eta vs tors. theta energy: -121.761
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: 9
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -1410.861019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.861019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.861019 (E_RNA)
where:
Base-Base interactions energy: -1024.524
where: short stacking energy: -405.362
Base-Backbone interact. energy: -1.127
local terms energy: -385.210566
where:
bonds (distance) C4'-P energy: -81.383
bonds (distance) P-C4' energy: -80.204
flat angles C4'-P-C4' energy: -95.675
flat angles P-C4'-P energy: -49.611
tors. eta vs tors. theta energy: -78.338
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: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -1322.970218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.970218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.970218 (E_RNA)
where:
Base-Base interactions energy: -936.132
where: short stacking energy: -395.282
Base-Backbone interact. energy: -1.770
local terms energy: -385.067756
where:
bonds (distance) C4'-P energy: -88.886
bonds (distance) P-C4' energy: -82.712
flat angles C4'-P-C4' energy: -76.739
flat angles P-C4'-P energy: -34.051
tors. eta vs tors. theta energy: -102.679
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: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -1054.359970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.359970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.359970 (E_RNA)
where:
Base-Base interactions energy: -728.912
where: short stacking energy: -314.308
Base-Backbone interact. energy: 5.511
local terms energy: -330.959065
where:
bonds (distance) C4'-P energy: -73.709
bonds (distance) P-C4' energy: -78.279
flat angles C4'-P-C4' energy: -81.480
flat angles P-C4'-P energy: -38.906
tors. eta vs tors. theta energy: -58.585
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: 10, replica: 10
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -904.735541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -904.735541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -904.735541 (E_RNA)
where:
Base-Base interactions energy: -569.669
where: short stacking energy: -237.636
Base-Backbone interact. energy: 3.812
local terms energy: -338.878750
where:
bonds (distance) C4'-P energy: -73.677
bonds (distance) P-C4' energy: -93.966
flat angles C4'-P-C4' energy: -77.537
flat angles P-C4'-P energy: -58.204
tors. eta vs tors. theta energy: -35.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -1941.230955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.230955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.230955 (E_RNA)
where:
Base-Base interactions energy: -1387.102
where: short stacking energy: -544.046
Base-Backbone interact. energy: -1.916
local terms energy: -552.213539
where:
bonds (distance) C4'-P energy: -95.355
bonds (distance) P-C4' energy: -103.032
flat angles C4'-P-C4' energy: -125.319
flat angles P-C4'-P energy: -84.672
tors. eta vs tors. theta energy: -143.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -1919.418373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.418373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.418373 (E_RNA)
where:
Base-Base interactions energy: -1365.403
where: short stacking energy: -551.635
Base-Backbone interact. energy: -1.251
local terms energy: -552.765104
where:
bonds (distance) C4'-P energy: -102.608
bonds (distance) P-C4' energy: -101.496
flat angles C4'-P-C4' energy: -115.406
flat angles P-C4'-P energy: -78.393
tors. eta vs tors. theta energy: -154.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -1787.035198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.035198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.035198 (E_RNA)
where:
Base-Base interactions energy: -1270.695
where: short stacking energy: -516.419
Base-Backbone interact. energy: 4.261
local terms energy: -520.601068
where:
bonds (distance) C4'-P energy: -96.361
bonds (distance) P-C4' energy: -92.642
flat angles C4'-P-C4' energy: -120.397
flat angles P-C4'-P energy: -72.212
tors. eta vs tors. theta energy: -138.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -1719.679520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.679520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.679520 (E_RNA)
where:
Base-Base interactions energy: -1233.834
where: short stacking energy: -489.411
Base-Backbone interact. energy: 0.137
local terms energy: -485.981870
where:
bonds (distance) C4'-P energy: -84.578
bonds (distance) P-C4' energy: -85.415
flat angles C4'-P-C4' energy: -112.556
flat angles P-C4'-P energy: -71.632
tors. eta vs tors. theta energy: -131.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -1669.341623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.341623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.341623 (E_RNA)
where:
Base-Base interactions energy: -1184.612
where: short stacking energy: -496.366
Base-Backbone interact. energy: -3.389
local terms energy: -481.341314
where:
bonds (distance) C4'-P energy: -84.408
bonds (distance) P-C4' energy: -101.066
flat angles C4'-P-C4' energy: -97.566
flat angles P-C4'-P energy: -73.407
tors. eta vs tors. theta energy: -124.895
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: 7
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -1509.068023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1509.068023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1509.068023 (E_RNA)
where:
Base-Base interactions energy: -1061.333
where: short stacking energy: -435.796
Base-Backbone interact. energy: -4.032
local terms energy: -443.702987
where:
bonds (distance) C4'-P energy: -75.584
bonds (distance) P-C4' energy: -95.159
flat angles C4'-P-C4' energy: -97.559
flat angles P-C4'-P energy: -74.096
tors. eta vs tors. theta energy: -101.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -1447.481721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.481721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.481721 (E_RNA)
where:
Base-Base interactions energy: -1038.327
where: short stacking energy: -411.850
Base-Backbone interact. energy: -2.648
local terms energy: -406.506084
where:
bonds (distance) C4'-P energy: -75.583
bonds (distance) P-C4' energy: -83.697
flat angles C4'-P-C4' energy: -89.972
flat angles P-C4'-P energy: -57.478
tors. eta vs tors. theta energy: -99.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -1302.045765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1302.045765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1302.045765 (E_RNA)
where:
Base-Base interactions energy: -873.920
where: short stacking energy: -373.116
Base-Backbone interact. energy: 0.028
local terms energy: -428.153298
where:
bonds (distance) C4'-P energy: -89.784
bonds (distance) P-C4' energy: -92.430
flat angles C4'-P-C4' energy: -99.020
flat angles P-C4'-P energy: -74.854
tors. eta vs tors. theta energy: -72.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -1088.184798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.184798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.184798 (E_RNA)
where:
Base-Base interactions energy: -739.376
where: short stacking energy: -334.239
Base-Backbone interact. energy: -1.003
local terms energy: -347.806229
where:
bonds (distance) C4'-P energy: -68.693
bonds (distance) P-C4' energy: -88.243
flat angles C4'-P-C4' energy: -83.745
flat angles P-C4'-P energy: -45.831
tors. eta vs tors. theta energy: -61.293
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: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -880.392961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -880.392961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -880.392961 (E_RNA)
where:
Base-Base interactions energy: -560.626
where: short stacking energy: -261.198
Base-Backbone interact. energy: -2.463
local terms energy: -317.304005
where:
bonds (distance) C4'-P energy: -85.507
bonds (distance) P-C4' energy: -73.532
flat angles C4'-P-C4' energy: -84.560
flat angles P-C4'-P energy: -42.214
tors. eta vs tors. theta energy: -31.490
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: 1, replica: 1
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -1932.771381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.771381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.771381 (E_RNA)
where:
Base-Base interactions energy: -1383.729
where: short stacking energy: -533.937
Base-Backbone interact. energy: -4.702
local terms energy: -544.340773
where:
bonds (distance) C4'-P energy: -96.373
bonds (distance) P-C4' energy: -101.727
flat angles C4'-P-C4' energy: -118.829
flat angles P-C4'-P energy: -81.730
tors. eta vs tors. theta energy: -145.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -1908.324405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.324405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.324405 (E_RNA)
where:
Base-Base interactions energy: -1367.905
where: short stacking energy: -554.868
Base-Backbone interact. energy: -4.404
local terms energy: -536.015656
where:
bonds (distance) C4'-P energy: -94.283
bonds (distance) P-C4' energy: -104.966
flat angles C4'-P-C4' energy: -113.146
flat angles P-C4'-P energy: -73.204
tors. eta vs tors. theta energy: -150.418
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: 4
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -1732.917837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.917837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.917837 (E_RNA)
where:
Base-Base interactions energy: -1219.689
where: short stacking energy: -510.818
Base-Backbone interact. energy: -3.466
local terms energy: -509.763528
where:
bonds (distance) C4'-P energy: -94.203
bonds (distance) P-C4' energy: -91.707
flat angles C4'-P-C4' energy: -117.881
flat angles P-C4'-P energy: -67.863
tors. eta vs tors. theta energy: -138.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -1781.634440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.634440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.634440 (E_RNA)
where:
Base-Base interactions energy: -1245.881
where: short stacking energy: -527.034
Base-Backbone interact. energy: -2.253
local terms energy: -533.500970
where:
bonds (distance) C4'-P energy: -96.093
bonds (distance) P-C4' energy: -105.232
flat angles C4'-P-C4' energy: -112.572
flat angles P-C4'-P energy: -83.322
tors. eta vs tors. theta energy: -136.282
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: 8
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -1681.018192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.018192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.018192 (E_RNA)
where:
Base-Base interactions energy: -1196.494
where: short stacking energy: -497.226
Base-Backbone interact. energy: -0.304
local terms energy: -484.220126
where:
bonds (distance) C4'-P energy: -82.226
bonds (distance) P-C4' energy: -90.812
flat angles C4'-P-C4' energy: -107.598
flat angles P-C4'-P energy: -71.951
tors. eta vs tors. theta energy: -131.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -1516.466490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.466490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.466490 (E_RNA)
where:
Base-Base interactions energy: -1061.070
where: short stacking energy: -444.710
Base-Backbone interact. energy: -1.255
local terms energy: -454.141248
where:
bonds (distance) C4'-P energy: -81.752
bonds (distance) P-C4' energy: -94.317
flat angles C4'-P-C4' energy: -99.705
flat angles P-C4'-P energy: -66.423
tors. eta vs tors. theta energy: -111.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -1435.733178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1435.733178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1435.733178 (E_RNA)
where:
Base-Base interactions energy: -1001.878
where: short stacking energy: -410.155
Base-Backbone interact. energy: -0.549
local terms energy: -433.305355
where:
bonds (distance) C4'-P energy: -82.785
bonds (distance) P-C4' energy: -83.353
flat angles C4'-P-C4' energy: -94.049
flat angles P-C4'-P energy: -69.766
tors. eta vs tors. theta energy: -103.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -1328.460180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.460180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.460180 (E_RNA)
where:
Base-Base interactions energy: -912.331
where: short stacking energy: -357.015
Base-Backbone interact. energy: -0.796
local terms energy: -415.332654
where:
bonds (distance) C4'-P energy: -96.980
bonds (distance) P-C4' energy: -80.403
flat angles C4'-P-C4' energy: -93.494
flat angles P-C4'-P energy: -60.771
tors. eta vs tors. theta energy: -83.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -1159.595657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1159.595657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1159.595657 (E_RNA)
where:
Base-Base interactions energy: -752.010
where: short stacking energy: -325.708
Base-Backbone interact. energy: -1.273
local terms energy: -406.312564
where:
bonds (distance) C4'-P energy: -97.869
bonds (distance) P-C4' energy: -96.204
flat angles C4'-P-C4' energy: -94.320
flat angles P-C4'-P energy: -54.034
tors. eta vs tors. theta energy: -63.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -874.842417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.842417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.842417 (E_RNA)
where:
Base-Base interactions energy: -566.035
where: short stacking energy: -255.085
Base-Backbone interact. energy: 2.080
local terms energy: -310.886963
where:
bonds (distance) C4'-P energy: -67.918
bonds (distance) P-C4' energy: -89.557
flat angles C4'-P-C4' energy: -81.574
flat angles P-C4'-P energy: -45.386
tors. eta vs tors. theta energy: -26.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -1935.694484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.694484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.694484 (E_RNA)
where:
Base-Base interactions energy: -1382.356
where: short stacking energy: -564.453
Base-Backbone interact. energy: -3.772
local terms energy: -549.566751
where:
bonds (distance) C4'-P energy: -87.972
bonds (distance) P-C4' energy: -95.990
flat angles C4'-P-C4' energy: -120.460
flat angles P-C4'-P energy: -91.025
tors. eta vs tors. theta energy: -154.121
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: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -1915.571740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1915.571740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1915.571740 (E_RNA)
where:
Base-Base interactions energy: -1342.004
where: short stacking energy: -568.274
Base-Backbone interact. energy: -2.244
local terms energy: -571.323581
where:
bonds (distance) C4'-P energy: -98.076
bonds (distance) P-C4' energy: -107.999
flat angles C4'-P-C4' energy: -119.439
flat angles P-C4'-P energy: -78.168
tors. eta vs tors. theta energy: -167.642
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: 362
Temperature: 1.000000
Total energy: -1831.475503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1831.475503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1831.475503 (E_RNA)
where:
Base-Base interactions energy: -1306.111
where: short stacking energy: -527.716
Base-Backbone interact. energy: -3.498
local terms energy: -521.866508
where:
bonds (distance) C4'-P energy: -91.340
bonds (distance) P-C4' energy: -96.080
flat angles C4'-P-C4' energy: -113.270
flat angles P-C4'-P energy: -76.819
tors. eta vs tors. theta energy: -144.357
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: 4, replica: 4
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -1683.711584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.711584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.711584 (E_RNA)
where:
Base-Base interactions energy: -1204.037
where: short stacking energy: -513.419
Base-Backbone interact. energy: -0.335
local terms energy: -479.340026
where:
bonds (distance) C4'-P energy: -82.776
bonds (distance) P-C4' energy: -83.303
flat angles C4'-P-C4' energy: -118.555
flat angles P-C4'-P energy: -66.298
tors. eta vs tors. theta energy: -128.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -1645.015900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.015900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.015900 (E_RNA)
where:
Base-Base interactions energy: -1184.065
where: short stacking energy: -467.690
Base-Backbone interact. energy: -1.224
local terms energy: -459.726850
where:
bonds (distance) C4'-P energy: -75.771
bonds (distance) P-C4' energy: -74.918
flat angles C4'-P-C4' energy: -100.976
flat angles P-C4'-P energy: -73.004
tors. eta vs tors. theta energy: -135.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -1484.577119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1484.577119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1484.577119 (E_RNA)
where:
Base-Base interactions energy: -1018.989
where: short stacking energy: -395.076
Base-Backbone interact. energy: -0.008
local terms energy: -465.579974
where:
bonds (distance) C4'-P energy: -96.933
bonds (distance) P-C4' energy: -77.467
flat angles C4'-P-C4' energy: -111.537
flat angles P-C4'-P energy: -71.604
tors. eta vs tors. theta energy: -108.038
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: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -1436.985013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1436.985013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1436.985013 (E_RNA)
where:
Base-Base interactions energy: -1006.362
where: short stacking energy: -413.502
Base-Backbone interact. energy: -1.984
local terms energy: -428.639093
where:
bonds (distance) C4'-P energy: -79.831
bonds (distance) P-C4' energy: -73.632
flat angles C4'-P-C4' energy: -96.929
flat angles P-C4'-P energy: -76.425
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: 5
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -1334.729336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.729336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.729336 (E_RNA)
where:
Base-Base interactions energy: -929.941
where: short stacking energy: -367.968
Base-Backbone interact. energy: 0.929
local terms energy: -405.717297
where:
bonds (distance) C4'-P energy: -82.359
bonds (distance) P-C4' energy: -86.254
flat angles C4'-P-C4' energy: -93.043
flat angles P-C4'-P energy: -56.386
tors. eta vs tors. theta energy: -87.675
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: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -1078.902467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.902467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.902467 (E_RNA)
where:
Base-Base interactions energy: -726.026
where: short stacking energy: -298.655
Base-Backbone interact. energy: -2.324
local terms energy: -350.551809
where:
bonds (distance) C4'-P energy: -85.141
bonds (distance) P-C4' energy: -74.382
flat angles C4'-P-C4' energy: -92.587
flat angles P-C4'-P energy: -51.357
tors. eta vs tors. theta energy: -47.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -848.311574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -848.311574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -848.311574 (E_RNA)
where:
Base-Base interactions energy: -546.131
where: short stacking energy: -242.515
Base-Backbone interact. energy: -2.624
local terms energy: -299.556714
where:
bonds (distance) C4'-P energy: -67.192
bonds (distance) P-C4' energy: -80.633
flat angles C4'-P-C4' energy: -71.862
flat angles P-C4'-P energy: -53.663
tors. eta vs tors. theta energy: -26.207
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: 1, replica: 1
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -1943.673387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.673387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.673387 (E_RNA)
where:
Base-Base interactions energy: -1393.600
where: short stacking energy: -561.435
Base-Backbone interact. energy: -0.871
local terms energy: -549.202717
where:
bonds (distance) C4'-P energy: -104.106
bonds (distance) P-C4' energy: -99.385
flat angles C4'-P-C4' energy: -116.793
flat angles P-C4'-P energy: -77.057
tors. eta vs tors. theta energy: -151.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -1895.598317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.598317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.598317 (E_RNA)
where:
Base-Base interactions energy: -1370.513
where: short stacking energy: -551.806
Base-Backbone interact. energy: -2.888
local terms energy: -522.197076
where:
bonds (distance) C4'-P energy: -102.617
bonds (distance) P-C4' energy: -89.604
flat angles C4'-P-C4' energy: -112.161
flat angles P-C4'-P energy: -62.890
tors. eta vs tors. theta energy: -154.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -1808.597458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1808.597458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1808.597458 (E_RNA)
where:
Base-Base interactions energy: -1269.034
where: short stacking energy: -514.667
Base-Backbone interact. energy: -3.743
local terms energy: -535.819943
where:
bonds (distance) C4'-P energy: -92.137
bonds (distance) P-C4' energy: -104.020
flat angles C4'-P-C4' energy: -115.230
flat angles P-C4'-P energy: -75.927
tors. eta vs tors. theta energy: -148.505
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: 8
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -1708.029547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.029547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.029547 (E_RNA)
where:
Base-Base interactions energy: -1211.462
where: short stacking energy: -516.426
Base-Backbone interact. energy: 0.502
local terms energy: -497.069810
where:
bonds (distance) C4'-P energy: -79.039
bonds (distance) P-C4' energy: -86.648
flat angles C4'-P-C4' energy: -109.861
flat angles P-C4'-P energy: -78.333
tors. eta vs tors. theta energy: -143.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -1626.881489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.881489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.881489 (E_RNA)
where:
Base-Base interactions energy: -1146.244
where: short stacking energy: -490.032
Base-Backbone interact. energy: -3.941
local terms energy: -476.696317
where:
bonds (distance) C4'-P energy: -85.711
bonds (distance) P-C4' energy: -80.119
flat angles C4'-P-C4' energy: -111.749
flat angles P-C4'-P energy: -73.314
tors. eta vs tors. theta energy: -125.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -1504.773076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1504.773076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1504.773076 (E_RNA)
where:
Base-Base interactions energy: -1043.524
where: short stacking energy: -442.025
Base-Backbone interact. energy: 0.534
local terms energy: -461.783231
where:
bonds (distance) C4'-P energy: -84.544
bonds (distance) P-C4' energy: -90.187
flat angles C4'-P-C4' energy: -106.967
flat angles P-C4'-P energy: -65.509
tors. eta vs tors. theta energy: -114.578
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: 7
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -1386.218262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.218262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.218262 (E_RNA)
where:
Base-Base interactions energy: -945.893
where: short stacking energy: -401.922
Base-Backbone interact. energy: -2.367
local terms energy: -437.957621
where:
bonds (distance) C4'-P energy: -96.480
bonds (distance) P-C4' energy: -85.819
flat angles C4'-P-C4' energy: -103.513
flat angles P-C4'-P energy: -59.174
tors. eta vs tors. theta energy: -92.971
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: 5
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -1358.291501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.291501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.291501 (E_RNA)
where:
Base-Base interactions energy: -918.293
where: short stacking energy: -411.020
Base-Backbone interact. energy: 0.181
local terms energy: -440.180055
where:
bonds (distance) C4'-P energy: -80.004
bonds (distance) P-C4' energy: -87.055
flat angles C4'-P-C4' energy: -83.409
flat angles P-C4'-P energy: -77.558
tors. eta vs tors. theta energy: -112.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -1138.319643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.319643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.319643 (E_RNA)
where:
Base-Base interactions energy: -781.843
where: short stacking energy: -324.421
Base-Backbone interact. energy: 4.217
local terms energy: -360.693598
where:
bonds (distance) C4'-P energy: -91.641
bonds (distance) P-C4' energy: -77.307
flat angles C4'-P-C4' energy: -87.336
flat angles P-C4'-P energy: -42.956
tors. eta vs tors. theta energy: -61.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -854.470697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.470697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.470697 (E_RNA)
where:
Base-Base interactions energy: -531.985
where: short stacking energy: -253.047
Base-Backbone interact. energy: 3.071
local terms energy: -325.557191
where:
bonds (distance) C4'-P energy: -81.503
bonds (distance) P-C4' energy: -89.079
flat angles C4'-P-C4' energy: -87.642
flat angles P-C4'-P energy: -30.827
tors. eta vs tors. theta energy: -36.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -1952.274986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1952.274986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1952.274986 (E_RNA)
where:
Base-Base interactions energy: -1386.238
where: short stacking energy: -566.074
Base-Backbone interact. energy: -0.907
local terms energy: -565.130001
where:
bonds (distance) C4'-P energy: -99.787
bonds (distance) P-C4' energy: -105.332
flat angles C4'-P-C4' energy: -118.720
flat angles P-C4'-P energy: -75.936
tors. eta vs tors. theta energy: -165.355
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: 1
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -1878.911938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.911938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.911938 (E_RNA)
where:
Base-Base interactions energy: -1345.200
where: short stacking energy: -548.129
Base-Backbone interact. energy: 3.230
local terms energy: -536.941990
where:
bonds (distance) C4'-P energy: -104.383
bonds (distance) P-C4' energy: -99.204
flat angles C4'-P-C4' energy: -113.049
flat angles P-C4'-P energy: -76.271
tors. eta vs tors. theta energy: -144.036
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: 3, replica: 3
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -1804.638168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.638168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.638168 (E_RNA)
where:
Base-Base interactions energy: -1268.733
where: short stacking energy: -506.437
Base-Backbone interact. energy: -5.608
local terms energy: -530.297478
where:
bonds (distance) C4'-P energy: -100.882
bonds (distance) P-C4' energy: -97.522
flat angles C4'-P-C4' energy: -113.251
flat angles P-C4'-P energy: -70.985
tors. eta vs tors. theta energy: -147.658
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: 8
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -1746.851649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.851649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.851649 (E_RNA)
where:
Base-Base interactions energy: -1230.935
where: short stacking energy: -489.088
Base-Backbone interact. energy: 1.239
local terms energy: -517.155178
where:
bonds (distance) C4'-P energy: -90.203
bonds (distance) P-C4' energy: -98.466
flat angles C4'-P-C4' energy: -110.727
flat angles P-C4'-P energy: -80.115
tors. eta vs tors. theta energy: -137.644
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: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -1681.510439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1681.510439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1681.510439 (E_RNA)
where:
Base-Base interactions energy: -1168.398
where: short stacking energy: -500.945
Base-Backbone interact. energy: -3.442
local terms energy: -509.671003
where:
bonds (distance) C4'-P energy: -93.118
bonds (distance) P-C4' energy: -85.252
flat angles C4'-P-C4' energy: -106.991
flat angles P-C4'-P energy: -79.015
tors. eta vs tors. theta energy: -145.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -1488.372732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.372732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.372732 (E_RNA)
where:
Base-Base interactions energy: -1028.030
where: short stacking energy: -455.898
Base-Backbone interact. energy: 0.058
local terms energy: -460.401177
where:
bonds (distance) C4'-P energy: -89.892
bonds (distance) P-C4' energy: -97.372
flat angles C4'-P-C4' energy: -96.169
flat angles P-C4'-P energy: -62.375
tors. eta vs tors. theta energy: -114.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -1417.806670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.806670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.806670 (E_RNA)
where:
Base-Base interactions energy: -996.780
where: short stacking energy: -405.973
Base-Backbone interact. energy: -3.078
local terms energy: -417.949064
where:
bonds (distance) C4'-P energy: -75.241
bonds (distance) P-C4' energy: -81.577
flat angles C4'-P-C4' energy: -95.009
flat angles P-C4'-P energy: -68.722
tors. eta vs tors. theta energy: -97.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -1299.585845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1299.585845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1299.585845 (E_RNA)
where:
Base-Base interactions energy: -896.054
where: short stacking energy: -415.115
Base-Backbone interact. energy: 2.071
local terms energy: -405.602475
where:
bonds (distance) C4'-P energy: -55.924
bonds (distance) P-C4' energy: -95.203
flat angles C4'-P-C4' energy: -95.720
flat angles P-C4'-P energy: -63.788
tors. eta vs tors. theta energy: -94.968
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: 6
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -1183.131591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.131591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.131591 (E_RNA)
where:
Base-Base interactions energy: -795.901
where: short stacking energy: -317.661
Base-Backbone interact. energy: -1.188
local terms energy: -386.042698
where:
bonds (distance) C4'-P energy: -83.303
bonds (distance) P-C4' energy: -85.503
flat angles C4'-P-C4' energy: -102.212
flat angles P-C4'-P energy: -39.238
tors. eta vs tors. theta energy: -75.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -795.306894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -795.306894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -795.306894 (E_RNA)
where:
Base-Base interactions energy: -475.074
where: short stacking energy: -235.874
Base-Backbone interact. energy: -1.231
local terms energy: -319.001688
where:
bonds (distance) C4'-P energy: -86.306
bonds (distance) P-C4' energy: -77.868
flat angles C4'-P-C4' energy: -86.864
flat angles P-C4'-P energy: -45.368
tors. eta vs tors. theta energy: -22.596
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: 1, replica: 2
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -1954.214149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.214149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.214149 (E_RNA)
where:
Base-Base interactions energy: -1377.460
where: short stacking energy: -564.950
Base-Backbone interact. energy: -3.767
local terms energy: -572.987722
where:
bonds (distance) C4'-P energy: -106.343
bonds (distance) P-C4' energy: -99.717
flat angles C4'-P-C4' energy: -117.335
flat angles P-C4'-P energy: -84.922
tors. eta vs tors. theta energy: -164.671
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: 1
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -1880.364115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.364115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.364115 (E_RNA)
where:
Base-Base interactions energy: -1345.754
where: short stacking energy: -517.514
Base-Backbone interact. energy: 3.043
local terms energy: -537.653629
where:
bonds (distance) C4'-P energy: -85.155
bonds (distance) P-C4' energy: -100.633
flat angles C4'-P-C4' energy: -119.021
flat angles P-C4'-P energy: -81.868
tors. eta vs tors. theta energy: -150.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -1816.145379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1816.145379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1816.145379 (E_RNA)
where:
Base-Base interactions energy: -1286.734
where: short stacking energy: -523.259
Base-Backbone interact. energy: -3.190
local terms energy: -526.221227
where:
bonds (distance) C4'-P energy: -99.525
bonds (distance) P-C4' energy: -98.026
flat angles C4'-P-C4' energy: -112.409
flat angles P-C4'-P energy: -71.583
tors. eta vs tors. theta energy: -144.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -1700.302968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.302968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.302968 (E_RNA)
where:
Base-Base interactions energy: -1214.452
where: short stacking energy: -472.500
Base-Backbone interact. energy: -3.689
local terms energy: -482.161495
where:
bonds (distance) C4'-P energy: -101.513
bonds (distance) P-C4' energy: -91.603
flat angles C4'-P-C4' energy: -99.291
flat angles P-C4'-P energy: -64.806
tors. eta vs tors. theta energy: -124.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -1651.228567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.228567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.228567 (E_RNA)
where:
Base-Base interactions energy: -1169.232
where: short stacking energy: -492.615
Base-Backbone interact. energy: -0.432
local terms energy: -481.564580
where:
bonds (distance) C4'-P energy: -78.995
bonds (distance) P-C4' energy: -96.547
flat angles C4'-P-C4' energy: -102.710
flat angles P-C4'-P energy: -63.985
tors. eta vs tors. theta energy: -139.328
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: 9
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -1458.081059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.081059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.081059 (E_RNA)
where:
Base-Base interactions energy: -995.603
where: short stacking energy: -431.043
Base-Backbone interact. energy: -0.857
local terms energy: -461.621340
where:
bonds (distance) C4'-P energy: -96.315
bonds (distance) P-C4' energy: -92.124
flat angles C4'-P-C4' energy: -103.275
flat angles P-C4'-P energy: -55.147
tors. eta vs tors. theta energy: -114.760
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: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -1380.132799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.132799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.132799 (E_RNA)
where:
Base-Base interactions energy: -933.064
where: short stacking energy: -412.089
Base-Backbone interact. energy: 0.732
local terms energy: -447.800491
where:
bonds (distance) C4'-P energy: -92.317
bonds (distance) P-C4' energy: -94.426
flat angles C4'-P-C4' energy: -104.279
flat angles P-C4'-P energy: -56.771
tors. eta vs tors. theta energy: -100.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -1312.114786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.114786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.114786 (E_RNA)
where:
Base-Base interactions energy: -903.975
where: short stacking energy: -372.187
Base-Backbone interact. energy: 3.406
local terms energy: -411.545954
where:
bonds (distance) C4'-P energy: -84.044
bonds (distance) P-C4' energy: -94.424
flat angles C4'-P-C4' energy: -94.948
flat angles P-C4'-P energy: -50.303
tors. eta vs tors. theta energy: -87.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -1136.965347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1136.965347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1136.965347 (E_RNA)
where:
Base-Base interactions energy: -777.959
where: short stacking energy: -332.496
Base-Backbone interact. energy: -0.776
local terms energy: -358.230281
where:
bonds (distance) C4'-P energy: -74.127
bonds (distance) P-C4' energy: -88.610
flat angles C4'-P-C4' energy: -92.093
flat angles P-C4'-P energy: -39.087
tors. eta vs tors. theta energy: -64.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -741.963177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -741.963177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -741.963177 (E_RNA)
where:
Base-Base interactions energy: -450.124
where: short stacking energy: -214.609
Base-Backbone interact. energy: 1.552
local terms energy: -293.391720
where:
bonds (distance) C4'-P energy: -67.052
bonds (distance) P-C4' energy: -92.229
flat angles C4'-P-C4' energy: -57.366
flat angles P-C4'-P energy: -60.925
tors. eta vs tors. theta energy: -15.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -1925.369013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1925.369013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1925.369013 (E_RNA)
where:
Base-Base interactions energy: -1370.473
where: short stacking energy: -553.749
Base-Backbone interact. energy: -0.272
local terms energy: -554.623699
where:
bonds (distance) C4'-P energy: -98.583
bonds (distance) P-C4' energy: -106.692
flat angles C4'-P-C4' energy: -115.345
flat angles P-C4'-P energy: -84.118
tors. eta vs tors. theta energy: -149.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -1904.826795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.826795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.826795 (E_RNA)
where:
Base-Base interactions energy: -1350.636
where: short stacking energy: -541.889
Base-Backbone interact. energy: -0.865
local terms energy: -553.325661
where:
bonds (distance) C4'-P energy: -93.909
bonds (distance) P-C4' energy: -106.877
flat angles C4'-P-C4' energy: -118.116
flat angles P-C4'-P energy: -83.616
tors. eta vs tors. theta energy: -150.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -1768.191685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.191685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.191685 (E_RNA)
where:
Base-Base interactions energy: -1236.087
where: short stacking energy: -507.916
Base-Backbone interact. energy: -4.130
local terms energy: -527.974235
where:
bonds (distance) C4'-P energy: -102.674
bonds (distance) P-C4' energy: -98.373
flat angles C4'-P-C4' energy: -112.465
flat angles P-C4'-P energy: -73.825
tors. eta vs tors. theta energy: -140.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -1704.217263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.217263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.217263 (E_RNA)
where:
Base-Base interactions energy: -1203.111
where: short stacking energy: -488.025
Base-Backbone interact. energy: 0.626
local terms energy: -501.732293
where:
bonds (distance) C4'-P energy: -80.739
bonds (distance) P-C4' energy: -94.875
flat angles C4'-P-C4' energy: -117.081
flat angles P-C4'-P energy: -78.351
tors. eta vs tors. theta energy: -130.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -1697.415882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.415882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.415882 (E_RNA)
where:
Base-Base interactions energy: -1218.983
where: short stacking energy: -501.513
Base-Backbone interact. energy: 3.275
local terms energy: -481.708499
where:
bonds (distance) C4'-P energy: -84.393
bonds (distance) P-C4' energy: -96.678
flat angles C4'-P-C4' energy: -97.029
flat angles P-C4'-P energy: -71.930
tors. eta vs tors. theta energy: -131.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -1505.616014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.616014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.616014 (E_RNA)
where:
Base-Base interactions energy: -1054.660
where: short stacking energy: -429.585
Base-Backbone interact. energy: 0.402
local terms energy: -451.357899
where:
bonds (distance) C4'-P energy: -94.102
bonds (distance) P-C4' energy: -86.021
flat angles C4'-P-C4' energy: -105.043
flat angles P-C4'-P energy: -60.915
tors. eta vs tors. theta energy: -105.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -1439.706844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.706844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.706844 (E_RNA)
where:
Base-Base interactions energy: -980.560
where: short stacking energy: -427.361
Base-Backbone interact. energy: 0.805
local terms energy: -459.951834
where:
bonds (distance) C4'-P energy: -91.042
bonds (distance) P-C4' energy: -92.442
flat angles C4'-P-C4' energy: -101.985
flat angles P-C4'-P energy: -54.431
tors. eta vs tors. theta energy: -120.052
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: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -1353.291296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.291296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.291296 (E_RNA)
where:
Base-Base interactions energy: -935.814
where: short stacking energy: -390.656
Base-Backbone interact. energy: -0.380
local terms energy: -417.096982
where:
bonds (distance) C4'-P energy: -75.445
bonds (distance) P-C4' energy: -88.046
flat angles C4'-P-C4' energy: -99.304
flat angles P-C4'-P energy: -67.134
tors. eta vs tors. theta energy: -87.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -1144.691736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.691736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.691736 (E_RNA)
where:
Base-Base interactions energy: -758.208
where: short stacking energy: -334.988
Base-Backbone interact. energy: 4.313
local terms energy: -390.796782
where:
bonds (distance) C4'-P energy: -81.130
bonds (distance) P-C4' energy: -91.790
flat angles C4'-P-C4' energy: -78.481
flat angles P-C4'-P energy: -68.795
tors. eta vs tors. theta energy: -70.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -720.118480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -720.118480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -720.118480 (E_RNA)
where:
Base-Base interactions energy: -408.888
where: short stacking energy: -220.864
Base-Backbone interact. energy: -2.145
local terms energy: -309.085410
where:
bonds (distance) C4'-P energy: -86.612
bonds (distance) P-C4' energy: -87.579
flat angles C4'-P-C4' energy: -74.310
flat angles P-C4'-P energy: -39.421
tors. eta vs tors. theta energy: -21.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -1940.534851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1940.534851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1940.534851 (E_RNA)
where:
Base-Base interactions energy: -1377.386
where: short stacking energy: -540.772
Base-Backbone interact. energy: -2.143
local terms energy: -561.006459
where:
bonds (distance) C4'-P energy: -93.075
bonds (distance) P-C4' energy: -117.681
flat angles C4'-P-C4' energy: -125.234
flat angles P-C4'-P energy: -78.843
tors. eta vs tors. theta energy: -146.174
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: 367
Temperature: 0.950000
Total energy: -1880.390265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.390265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.390265 (E_RNA)
where:
Base-Base interactions energy: -1344.925
where: short stacking energy: -543.831
Base-Backbone interact. energy: -2.645
local terms energy: -532.820031
where:
bonds (distance) C4'-P energy: -93.395
bonds (distance) P-C4' energy: -100.343
flat angles C4'-P-C4' energy: -119.467
flat angles P-C4'-P energy: -74.997
tors. eta vs tors. theta energy: -144.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -1754.783691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.783691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.783691 (E_RNA)
where:
Base-Base interactions energy: -1262.532
where: short stacking energy: -511.917
Base-Backbone interact. energy: -2.584
local terms energy: -489.667475
where:
bonds (distance) C4'-P energy: -86.221
bonds (distance) P-C4' energy: -86.831
flat angles C4'-P-C4' energy: -101.355
flat angles P-C4'-P energy: -65.554
tors. eta vs tors. theta energy: -149.708
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: 367
Temperature: 1.050000
Total energy: -1741.861929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.861929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.861929 (E_RNA)
where:
Base-Base interactions energy: -1210.482
where: short stacking energy: -484.776
Base-Backbone interact. energy: -2.431
local terms energy: -528.948582
where:
bonds (distance) C4'-P energy: -103.935
bonds (distance) P-C4' energy: -102.871
flat angles C4'-P-C4' energy: -112.537
flat angles P-C4'-P energy: -78.208
tors. eta vs tors. theta energy: -131.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -1683.620139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.620139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.620139 (E_RNA)
where:
Base-Base interactions energy: -1182.084
where: short stacking energy: -489.930
Base-Backbone interact. energy: 6.194
local terms energy: -507.729811
where:
bonds (distance) C4'-P energy: -88.727
bonds (distance) P-C4' energy: -95.482
flat angles C4'-P-C4' energy: -112.283
flat angles P-C4'-P energy: -79.344
tors. eta vs tors. theta energy: -131.893
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: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -1487.964748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.964748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.964748 (E_RNA)
where:
Base-Base interactions energy: -1012.368
where: short stacking energy: -450.294
Base-Backbone interact. energy: -5.240
local terms energy: -470.357365
where:
bonds (distance) C4'-P energy: -85.396
bonds (distance) P-C4' energy: -96.497
flat angles C4'-P-C4' energy: -108.504
flat angles P-C4'-P energy: -58.278
tors. eta vs tors. theta energy: -121.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -1388.792737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1388.792737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1388.792737 (E_RNA)
where:
Base-Base interactions energy: -954.823
where: short stacking energy: -422.666
Base-Backbone interact. energy: -0.562
local terms energy: -433.408152
where:
bonds (distance) C4'-P energy: -86.033
bonds (distance) P-C4' energy: -94.709
flat angles C4'-P-C4' energy: -86.812
flat angles P-C4'-P energy: -61.694
tors. eta vs tors. theta energy: -104.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -1417.138394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.138394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.138394 (E_RNA)
where:
Base-Base interactions energy: -971.776
where: short stacking energy: -436.498
Base-Backbone interact. energy: -0.231
local terms energy: -445.130518
where:
bonds (distance) C4'-P energy: -71.061
bonds (distance) P-C4' energy: -99.781
flat angles C4'-P-C4' energy: -84.797
flat angles P-C4'-P energy: -78.330
tors. eta vs tors. theta energy: -111.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -1137.788496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1137.788496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1137.788496 (E_RNA)
where:
Base-Base interactions energy: -747.315
where: short stacking energy: -312.957
Base-Backbone interact. energy: -1.103
local terms energy: -389.370932
where:
bonds (distance) C4'-P energy: -88.260
bonds (distance) P-C4' energy: -90.449
flat angles C4'-P-C4' energy: -87.893
flat angles P-C4'-P energy: -59.208
tors. eta vs tors. theta energy: -63.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -757.757186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -757.757186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -757.757186 (E_RNA)
where:
Base-Base interactions energy: -458.270
where: short stacking energy: -225.438
Base-Backbone interact. energy: 10.769
local terms energy: -310.256608
where:
bonds (distance) C4'-P energy: -84.340
bonds (distance) P-C4' energy: -82.770
flat angles C4'-P-C4' energy: -85.438
flat angles P-C4'-P energy: -35.782
tors. eta vs tors. theta energy: -21.927
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: 1, replica: 1
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -1938.884543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.884543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.884543 (E_RNA)
where:
Base-Base interactions energy: -1388.546
where: short stacking energy: -538.855
Base-Backbone interact. energy: 3.217
local terms energy: -553.555610
where:
bonds (distance) C4'-P energy: -103.080
bonds (distance) P-C4' energy: -102.013
flat angles C4'-P-C4' energy: -129.815
flat angles P-C4'-P energy: -81.309
tors. eta vs tors. theta energy: -137.339
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: 2, replica: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -1917.909392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.909392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.909392 (E_RNA)
where:
Base-Base interactions energy: -1336.490
where: short stacking energy: -546.294
Base-Backbone interact. energy: -3.885
local terms energy: -577.534742
where:
bonds (distance) C4'-P energy: -110.678
bonds (distance) P-C4' energy: -101.565
flat angles C4'-P-C4' energy: -128.366
flat angles P-C4'-P energy: -78.417
tors. eta vs tors. theta energy: -158.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -1784.378575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.378575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.378575 (E_RNA)
where:
Base-Base interactions energy: -1239.879
where: short stacking energy: -499.951
Base-Backbone interact. energy: -0.590
local terms energy: -543.909319
where:
bonds (distance) C4'-P energy: -106.884
bonds (distance) P-C4' energy: -98.561
flat angles C4'-P-C4' energy: -116.931
flat angles P-C4'-P energy: -86.585
tors. eta vs tors. theta energy: -134.949
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: 368
Temperature: 1.050000
Total energy: -1704.525009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.525009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.525009 (E_RNA)
where:
Base-Base interactions energy: -1217.612
where: short stacking energy: -489.489
Base-Backbone interact. energy: -1.442
local terms energy: -485.471135
where:
bonds (distance) C4'-P energy: -87.493
bonds (distance) P-C4' energy: -93.215
flat angles C4'-P-C4' energy: -109.196
flat angles P-C4'-P energy: -71.712
tors. eta vs tors. theta energy: -123.856
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: 8
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -1639.465510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.465510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.465510 (E_RNA)
where:
Base-Base interactions energy: -1148.063
where: short stacking energy: -463.923
Base-Backbone interact. energy: 2.768
local terms energy: -494.171456
where:
bonds (distance) C4'-P energy: -93.085
bonds (distance) P-C4' energy: -78.439
flat angles C4'-P-C4' energy: -110.248
flat angles P-C4'-P energy: -77.376
tors. eta vs tors. theta energy: -135.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -1477.942451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.942451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.942451 (E_RNA)
where:
Base-Base interactions energy: -1027.057
where: short stacking energy: -435.400
Base-Backbone interact. energy: -2.406
local terms energy: -448.479419
where:
bonds (distance) C4'-P energy: -79.716
bonds (distance) P-C4' energy: -90.322
flat angles C4'-P-C4' energy: -103.517
flat angles P-C4'-P energy: -71.383
tors. eta vs tors. theta energy: -103.542
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: 7, replica: 7
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -1417.971842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1417.971842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1417.971842 (E_RNA)
where:
Base-Base interactions energy: -972.010
where: short stacking energy: -401.680
Base-Backbone interact. energy: -3.647
local terms energy: -442.315239
where:
bonds (distance) C4'-P energy: -89.063
bonds (distance) P-C4' energy: -81.341
flat angles C4'-P-C4' energy: -95.785
flat angles P-C4'-P energy: -72.302
tors. eta vs tors. theta energy: -103.825
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: 5
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -1334.737050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.737050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.737050 (E_RNA)
where:
Base-Base interactions energy: -921.102
where: short stacking energy: -393.049
Base-Backbone interact. energy: -2.763
local terms energy: -410.871454
where:
bonds (distance) C4'-P energy: -78.129
bonds (distance) P-C4' energy: -76.397
flat angles C4'-P-C4' energy: -93.041
flat angles P-C4'-P energy: -66.577
tors. eta vs tors. theta energy: -96.726
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: 6
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -1112.288898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.288898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.288898 (E_RNA)
where:
Base-Base interactions energy: -728.162
where: short stacking energy: -319.105
Base-Backbone interact. energy: 0.424
local terms energy: -384.551499
where:
bonds (distance) C4'-P energy: -93.568
bonds (distance) P-C4' energy: -101.812
flat angles C4'-P-C4' energy: -80.833
flat angles P-C4'-P energy: -42.368
tors. eta vs tors. theta energy: -65.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -729.152940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -729.152940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -729.152940 (E_RNA)
where:
Base-Base interactions energy: -410.621
where: short stacking energy: -211.931
Base-Backbone interact. energy: 5.764
local terms energy: -324.295871
where:
bonds (distance) C4'-P energy: -93.677
bonds (distance) P-C4' energy: -80.088
flat angles C4'-P-C4' energy: -77.018
flat angles P-C4'-P energy: -54.279
tors. eta vs tors. theta energy: -19.234
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: 1
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -1923.960254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.960254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.960254 (E_RNA)
where:
Base-Base interactions energy: -1379.533
where: short stacking energy: -548.286
Base-Backbone interact. energy: 1.311
local terms energy: -545.737737
where:
bonds (distance) C4'-P energy: -92.312
bonds (distance) P-C4' energy: -107.253
flat angles C4'-P-C4' energy: -117.820
flat angles P-C4'-P energy: -81.414
tors. eta vs tors. theta energy: -146.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -1889.830693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.830693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.830693 (E_RNA)
where:
Base-Base interactions energy: -1335.315
where: short stacking energy: -526.648
Base-Backbone interact. energy: -2.241
local terms energy: -552.275405
where:
bonds (distance) C4'-P energy: -92.005
bonds (distance) P-C4' energy: -104.275
flat angles C4'-P-C4' energy: -115.982
flat angles P-C4'-P energy: -87.331
tors. eta vs tors. theta energy: -152.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -1760.771739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.771739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.771739 (E_RNA)
where:
Base-Base interactions energy: -1227.273
where: short stacking energy: -514.142
Base-Backbone interact. energy: -3.402
local terms energy: -530.096048
where:
bonds (distance) C4'-P energy: -93.884
bonds (distance) P-C4' energy: -88.638
flat angles C4'-P-C4' energy: -119.398
flat angles P-C4'-P energy: -78.238
tors. eta vs tors. theta energy: -149.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -1704.122115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.122115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.122115 (E_RNA)
where:
Base-Base interactions energy: -1209.631
where: short stacking energy: -484.257
Base-Backbone interact. energy: -1.496
local terms energy: -492.995349
where:
bonds (distance) C4'-P energy: -83.454
bonds (distance) P-C4' energy: -104.685
flat angles C4'-P-C4' energy: -111.620
flat angles P-C4'-P energy: -57.085
tors. eta vs tors. theta energy: -136.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -1624.875566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.875566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.875566 (E_RNA)
where:
Base-Base interactions energy: -1148.358
where: short stacking energy: -458.674
Base-Backbone interact. energy: -2.634
local terms energy: -473.883633
where:
bonds (distance) C4'-P energy: -87.111
bonds (distance) P-C4' energy: -98.234
flat angles C4'-P-C4' energy: -106.906
flat angles P-C4'-P energy: -59.862
tors. eta vs tors. theta energy: -121.770
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: 9
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -1502.096148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.096148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.096148 (E_RNA)
where:
Base-Base interactions energy: -1023.388
where: short stacking energy: -424.779
Base-Backbone interact. energy: -0.563
local terms energy: -478.144889
where:
bonds (distance) C4'-P energy: -105.541
bonds (distance) P-C4' energy: -81.546
flat angles C4'-P-C4' energy: -108.191
flat angles P-C4'-P energy: -70.081
tors. eta vs tors. theta energy: -112.786
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: 7
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -1443.535839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.535839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.535839 (E_RNA)
where:
Base-Base interactions energy: -994.380
where: short stacking energy: -433.111
Base-Backbone interact. energy: -1.636
local terms energy: -447.520499
where:
bonds (distance) C4'-P energy: -79.576
bonds (distance) P-C4' energy: -94.899
flat angles C4'-P-C4' energy: -99.645
flat angles P-C4'-P energy: -66.449
tors. eta vs tors. theta energy: -106.952
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: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -1290.474598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.474598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.474598 (E_RNA)
where:
Base-Base interactions energy: -889.784
where: short stacking energy: -346.804
Base-Backbone interact. energy: -0.978
local terms energy: -399.711887
where:
bonds (distance) C4'-P energy: -92.189
bonds (distance) P-C4' energy: -83.201
flat angles C4'-P-C4' energy: -94.253
flat angles P-C4'-P energy: -51.498
tors. eta vs tors. theta energy: -78.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -1161.610290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.610290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.610290 (E_RNA)
where:
Base-Base interactions energy: -764.856
where: short stacking energy: -319.633
Base-Backbone interact. energy: -0.883
local terms energy: -395.872192
where:
bonds (distance) C4'-P energy: -84.555
bonds (distance) P-C4' energy: -104.433
flat angles C4'-P-C4' energy: -81.243
flat angles P-C4'-P energy: -59.890
tors. eta vs tors. theta energy: -65.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -655.998462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -655.998462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -655.998462 (E_RNA)
where:
Base-Base interactions energy: -383.140
where: short stacking energy: -171.702
Base-Backbone interact. energy: 1.527
local terms energy: -274.385765
where:
bonds (distance) C4'-P energy: -82.731
bonds (distance) P-C4' energy: -83.364
flat angles C4'-P-C4' energy: -85.753
flat angles P-C4'-P energy: -36.519
tors. eta vs tors. theta energy: 13.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -1938.574261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.574261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.574261 (E_RNA)
where:
Base-Base interactions energy: -1378.817
where: short stacking energy: -547.792
Base-Backbone interact. energy: -1.049
local terms energy: -558.708172
where:
bonds (distance) C4'-P energy: -99.846
bonds (distance) P-C4' energy: -107.138
flat angles C4'-P-C4' energy: -125.508
flat angles P-C4'-P energy: -76.856
tors. eta vs tors. theta energy: -149.361
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: 370
Temperature: 0.950000
Total energy: -1875.921257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.921257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.921257 (E_RNA)
where:
Base-Base interactions energy: -1311.358
where: short stacking energy: -532.702
Base-Backbone interact. energy: 2.875
local terms energy: -567.438340
where:
bonds (distance) C4'-P energy: -97.627
bonds (distance) P-C4' energy: -118.019
flat angles C4'-P-C4' energy: -117.535
flat angles P-C4'-P energy: -85.424
tors. eta vs tors. theta energy: -148.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -1758.306799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1758.306799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1758.306799 (E_RNA)
where:
Base-Base interactions energy: -1258.942
where: short stacking energy: -507.845
Base-Backbone interact. energy: -0.487
local terms energy: -498.877813
where:
bonds (distance) C4'-P energy: -80.146
bonds (distance) P-C4' energy: -101.255
flat angles C4'-P-C4' energy: -104.597
flat angles P-C4'-P energy: -80.422
tors. eta vs tors. theta energy: -132.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -1770.593464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.593464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.593464 (E_RNA)
where:
Base-Base interactions energy: -1247.744
where: short stacking energy: -542.685
Base-Backbone interact. energy: -2.893
local terms energy: -519.956742
where:
bonds (distance) C4'-P energy: -88.104
bonds (distance) P-C4' energy: -104.460
flat angles C4'-P-C4' energy: -109.503
flat angles P-C4'-P energy: -72.892
tors. eta vs tors. theta energy: -144.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -1647.475556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.475556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.475556 (E_RNA)
where:
Base-Base interactions energy: -1143.544
where: short stacking energy: -486.981
Base-Backbone interact. energy: -2.126
local terms energy: -501.805428
where:
bonds (distance) C4'-P energy: -84.980
bonds (distance) P-C4' energy: -103.480
flat angles C4'-P-C4' energy: -101.535
flat angles P-C4'-P energy: -72.407
tors. eta vs tors. theta energy: -139.403
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: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -1459.486276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.486276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.486276 (E_RNA)
where:
Base-Base interactions energy: -1006.088
where: short stacking energy: -429.028
Base-Backbone interact. energy: -1.779
local terms energy: -451.619221
where:
bonds (distance) C4'-P energy: -74.330
bonds (distance) P-C4' energy: -88.309
flat angles C4'-P-C4' energy: -111.242
flat angles P-C4'-P energy: -76.649
tors. eta vs tors. theta energy: -101.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -1426.907731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.907731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.907731 (E_RNA)
where:
Base-Base interactions energy: -1003.929
where: short stacking energy: -412.196
Base-Backbone interact. energy: -0.852
local terms energy: -422.127040
where:
bonds (distance) C4'-P energy: -85.724
bonds (distance) P-C4' energy: -80.677
flat angles C4'-P-C4' energy: -98.792
flat angles P-C4'-P energy: -57.266
tors. eta vs tors. theta energy: -99.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -1332.492151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.492151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.492151 (E_RNA)
where:
Base-Base interactions energy: -946.257
where: short stacking energy: -388.787
Base-Backbone interact. energy: -1.945
local terms energy: -384.290186
where:
bonds (distance) C4'-P energy: -77.579
bonds (distance) P-C4' energy: -72.433
flat angles C4'-P-C4' energy: -91.391
flat angles P-C4'-P energy: -52.003
tors. eta vs tors. theta energy: -90.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -1171.819741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1171.819741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1171.819741 (E_RNA)
where:
Base-Base interactions energy: -768.616
where: short stacking energy: -340.611
Base-Backbone interact. energy: 0.893
local terms energy: -404.096948
where:
bonds (distance) C4'-P energy: -80.530
bonds (distance) P-C4' energy: -88.147
flat angles C4'-P-C4' energy: -94.847
flat angles P-C4'-P energy: -70.308
tors. eta vs tors. theta energy: -70.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -702.358604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.358604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.358604 (E_RNA)
where:
Base-Base interactions energy: -408.122
where: short stacking energy: -205.154
Base-Backbone interact. energy: -2.528
local terms energy: -291.709270
where:
bonds (distance) C4'-P energy: -89.540
bonds (distance) P-C4' energy: -70.195
flat angles C4'-P-C4' energy: -67.183
flat angles P-C4'-P energy: -40.513
tors. eta vs tors. theta energy: -24.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -1944.849218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1944.849218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1944.849218 (E_RNA)
where:
Base-Base interactions energy: -1394.047
where: short stacking energy: -544.045
Base-Backbone interact. energy: 1.137
local terms energy: -551.938812
where:
bonds (distance) C4'-P energy: -103.562
bonds (distance) P-C4' energy: -104.193
flat angles C4'-P-C4' energy: -121.482
flat angles P-C4'-P energy: -74.562
tors. eta vs tors. theta energy: -148.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -1893.951204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.951204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.951204 (E_RNA)
where:
Base-Base interactions energy: -1339.448
where: short stacking energy: -545.817
Base-Backbone interact. energy: -0.036
local terms energy: -554.467376
where:
bonds (distance) C4'-P energy: -103.274
bonds (distance) P-C4' energy: -97.402
flat angles C4'-P-C4' energy: -124.006
flat angles P-C4'-P energy: -80.302
tors. eta vs tors. theta energy: -149.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -1795.348000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.348000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.348000 (E_RNA)
where:
Base-Base interactions energy: -1256.610
where: short stacking energy: -513.409
Base-Backbone interact. energy: -4.020
local terms energy: -534.718358
where:
bonds (distance) C4'-P energy: -103.802
bonds (distance) P-C4' energy: -97.512
flat angles C4'-P-C4' energy: -116.051
flat angles P-C4'-P energy: -78.133
tors. eta vs tors. theta energy: -139.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -1748.769513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.769513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.769513 (E_RNA)
where:
Base-Base interactions energy: -1229.730
where: short stacking energy: -513.918
Base-Backbone interact. energy: -2.744
local terms energy: -516.294990
where:
bonds (distance) C4'-P energy: -90.915
bonds (distance) P-C4' energy: -104.367
flat angles C4'-P-C4' energy: -111.533
flat angles P-C4'-P energy: -64.446
tors. eta vs tors. theta energy: -145.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -1599.750945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1599.750945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1599.750945 (E_RNA)
where:
Base-Base interactions energy: -1149.658
where: short stacking energy: -448.557
Base-Backbone interact. energy: -3.601
local terms energy: -446.491707
where:
bonds (distance) C4'-P energy: -91.081
bonds (distance) P-C4' energy: -73.215
flat angles C4'-P-C4' energy: -103.472
flat angles P-C4'-P energy: -66.270
tors. eta vs tors. theta energy: -112.455
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: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -1478.814281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.814281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.814281 (E_RNA)
where:
Base-Base interactions energy: -1030.911
where: short stacking energy: -442.718
Base-Backbone interact. energy: -1.442
local terms energy: -446.461468
where:
bonds (distance) C4'-P energy: -82.549
bonds (distance) P-C4' energy: -104.013
flat angles C4'-P-C4' energy: -87.391
flat angles P-C4'-P energy: -70.955
tors. eta vs tors. theta energy: -101.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -1412.968173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.968173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.968173 (E_RNA)
where:
Base-Base interactions energy: -987.464
where: short stacking energy: -393.403
Base-Backbone interact. energy: 0.008
local terms energy: -425.511983
where:
bonds (distance) C4'-P energy: -77.159
bonds (distance) P-C4' energy: -85.214
flat angles C4'-P-C4' energy: -106.300
flat angles P-C4'-P energy: -56.842
tors. eta vs tors. theta energy: -99.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -1310.691173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.691173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.691173 (E_RNA)
where:
Base-Base interactions energy: -920.167
where: short stacking energy: -380.407
Base-Backbone interact. energy: 3.126
local terms energy: -393.650442
where:
bonds (distance) C4'-P energy: -70.697
bonds (distance) P-C4' energy: -81.169
flat angles C4'-P-C4' energy: -92.034
flat angles P-C4'-P energy: -58.940
tors. eta vs tors. theta energy: -90.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -1160.431258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1160.431258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1160.431258 (E_RNA)
where:
Base-Base interactions energy: -782.606
where: short stacking energy: -346.490
Base-Backbone interact. energy: -4.296
local terms energy: -373.528731
where:
bonds (distance) C4'-P energy: -91.409
bonds (distance) P-C4' energy: -73.111
flat angles C4'-P-C4' energy: -85.447
flat angles P-C4'-P energy: -48.403
tors. eta vs tors. theta energy: -75.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -748.960933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -748.960933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -748.960933 (E_RNA)
where:
Base-Base interactions energy: -435.845
where: short stacking energy: -226.211
Base-Backbone interact. energy: -0.017
local terms energy: -313.099142
where:
bonds (distance) C4'-P energy: -71.409
bonds (distance) P-C4' energy: -91.945
flat angles C4'-P-C4' energy: -80.070
flat angles P-C4'-P energy: -43.889
tors. eta vs tors. theta energy: -25.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -1929.926766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.926766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.926766 (E_RNA)
where:
Base-Base interactions energy: -1387.615
where: short stacking energy: -554.946
Base-Backbone interact. energy: -0.395
local terms energy: -541.916806
where:
bonds (distance) C4'-P energy: -99.995
bonds (distance) P-C4' energy: -86.322
flat angles C4'-P-C4' energy: -125.748
flat angles P-C4'-P energy: -73.678
tors. eta vs tors. theta energy: -156.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -1893.375839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.375839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.375839 (E_RNA)
where:
Base-Base interactions energy: -1352.412
where: short stacking energy: -550.246
Base-Backbone interact. energy: -1.596
local terms energy: -539.367814
where:
bonds (distance) C4'-P energy: -96.527
bonds (distance) P-C4' energy: -97.939
flat angles C4'-P-C4' energy: -112.095
flat angles P-C4'-P energy: -80.266
tors. eta vs tors. theta energy: -152.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -1825.627286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.627286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.627286 (E_RNA)
where:
Base-Base interactions energy: -1297.309
where: short stacking energy: -536.869
Base-Backbone interact. energy: -2.181
local terms energy: -526.136752
where:
bonds (distance) C4'-P energy: -90.158
bonds (distance) P-C4' energy: -95.594
flat angles C4'-P-C4' energy: -116.706
flat angles P-C4'-P energy: -71.173
tors. eta vs tors. theta energy: -152.506
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: 4, replica: 4
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -1708.256302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.256302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.256302 (E_RNA)
where:
Base-Base interactions energy: -1186.612
where: short stacking energy: -494.583
Base-Backbone interact. energy: -3.750
local terms energy: -517.893823
where:
bonds (distance) C4'-P energy: -93.576
bonds (distance) P-C4' energy: -98.287
flat angles C4'-P-C4' energy: -119.920
flat angles P-C4'-P energy: -73.016
tors. eta vs tors. theta energy: -133.095
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: 8
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -1657.077758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.077758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.077758 (E_RNA)
where:
Base-Base interactions energy: -1156.749
where: short stacking energy: -465.165
Base-Backbone interact. energy: -1.127
local terms energy: -499.201897
where:
bonds (distance) C4'-P energy: -98.520
bonds (distance) P-C4' energy: -109.468
flat angles C4'-P-C4' energy: -96.508
flat angles P-C4'-P energy: -67.870
tors. eta vs tors. theta energy: -126.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -1507.081323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.081323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.081323 (E_RNA)
where:
Base-Base interactions energy: -1039.307
where: short stacking energy: -451.808
Base-Backbone interact. energy: -1.544
local terms energy: -466.230599
where:
bonds (distance) C4'-P energy: -91.470
bonds (distance) P-C4' energy: -95.539
flat angles C4'-P-C4' energy: -99.357
flat angles P-C4'-P energy: -61.384
tors. eta vs tors. theta energy: -118.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -1486.301284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1486.301284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1486.301284 (E_RNA)
where:
Base-Base interactions energy: -1047.874
where: short stacking energy: -432.733
Base-Backbone interact. energy: -2.098
local terms energy: -436.329295
where:
bonds (distance) C4'-P energy: -87.409
bonds (distance) P-C4' energy: -86.677
flat angles C4'-P-C4' energy: -103.965
flat angles P-C4'-P energy: -52.497
tors. eta vs tors. theta energy: -105.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -1303.172305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.172305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.172305 (E_RNA)
where:
Base-Base interactions energy: -889.265
where: short stacking energy: -399.038
Base-Backbone interact. energy: -0.770
local terms energy: -413.137548
where:
bonds (distance) C4'-P energy: -69.763
bonds (distance) P-C4' energy: -88.262
flat angles C4'-P-C4' energy: -99.925
flat angles P-C4'-P energy: -46.638
tors. eta vs tors. theta energy: -108.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -1126.972112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.972112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.972112 (E_RNA)
where:
Base-Base interactions energy: -762.173
where: short stacking energy: -311.756
Base-Backbone interact. energy: 1.604
local terms energy: -366.403110
where:
bonds (distance) C4'-P energy: -68.170
bonds (distance) P-C4' energy: -84.204
flat angles C4'-P-C4' energy: -82.195
flat angles P-C4'-P energy: -55.658
tors. eta vs tors. theta energy: -76.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -717.302048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.302048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.302048 (E_RNA)
where:
Base-Base interactions energy: -399.524
where: short stacking energy: -221.114
Base-Backbone interact. energy: -1.373
local terms energy: -316.404974
where:
bonds (distance) C4'-P energy: -80.742
bonds (distance) P-C4' energy: -77.361
flat angles C4'-P-C4' energy: -76.547
flat angles P-C4'-P energy: -47.945
tors. eta vs tors. theta energy: -33.810
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: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -1942.519536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.519536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.519536 (E_RNA)
where:
Base-Base interactions energy: -1380.114
where: short stacking energy: -546.040
Base-Backbone interact. energy: 3.663
local terms energy: -566.068457
where:
bonds (distance) C4'-P energy: -98.706
bonds (distance) P-C4' energy: -106.955
flat angles C4'-P-C4' energy: -123.327
flat angles P-C4'-P energy: -78.826
tors. eta vs tors. theta energy: -158.255
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: 373
Temperature: 0.950000
Total energy: -1903.062529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.062529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.062529 (E_RNA)
where:
Base-Base interactions energy: -1343.453
where: short stacking energy: -558.196
Base-Backbone interact. energy: 0.299
local terms energy: -559.908402
where:
bonds (distance) C4'-P energy: -103.998
bonds (distance) P-C4' energy: -91.462
flat angles C4'-P-C4' energy: -121.496
flat angles P-C4'-P energy: -88.899
tors. eta vs tors. theta energy: -154.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -1809.971332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1809.971332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1809.971332 (E_RNA)
where:
Base-Base interactions energy: -1277.032
where: short stacking energy: -538.154
Base-Backbone interact. energy: 2.613
local terms energy: -535.552401
where:
bonds (distance) C4'-P energy: -105.207
bonds (distance) P-C4' energy: -92.615
flat angles C4'-P-C4' energy: -120.058
flat angles P-C4'-P energy: -65.998
tors. eta vs tors. theta energy: -151.675
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: 4
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -1743.624692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.624692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.624692 (E_RNA)
where:
Base-Base interactions energy: -1261.429
where: short stacking energy: -508.912
Base-Backbone interact. energy: 0.873
local terms energy: -483.069011
where:
bonds (distance) C4'-P energy: -88.094
bonds (distance) P-C4' energy: -100.720
flat angles C4'-P-C4' energy: -107.973
flat angles P-C4'-P energy: -53.975
tors. eta vs tors. theta energy: -132.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -1619.934743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1619.934743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1619.934743 (E_RNA)
where:
Base-Base interactions energy: -1133.540
where: short stacking energy: -430.758
Base-Backbone interact. energy: -0.628
local terms energy: -485.766683
where:
bonds (distance) C4'-P energy: -98.164
bonds (distance) P-C4' energy: -87.535
flat angles C4'-P-C4' energy: -104.543
flat angles P-C4'-P energy: -75.845
tors. eta vs tors. theta energy: -119.679
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: 9
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -1477.802257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.802257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.802257 (E_RNA)
where:
Base-Base interactions energy: -995.198
where: short stacking energy: -407.049
Base-Backbone interact. energy: -2.178
local terms energy: -480.426457
where:
bonds (distance) C4'-P energy: -98.566
bonds (distance) P-C4' energy: -97.712
flat angles C4'-P-C4' energy: -94.636
flat angles P-C4'-P energy: -71.038
tors. eta vs tors. theta energy: -118.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -1430.854876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1430.854876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1430.854876 (E_RNA)
where:
Base-Base interactions energy: -1007.959
where: short stacking energy: -419.199
Base-Backbone interact. energy: -2.337
local terms energy: -420.558505
where:
bonds (distance) C4'-P energy: -80.464
bonds (distance) P-C4' energy: -94.161
flat angles C4'-P-C4' energy: -81.968
flat angles P-C4'-P energy: -64.737
tors. eta vs tors. theta energy: -99.228
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: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -1306.979521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.979521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.979521 (E_RNA)
where:
Base-Base interactions energy: -871.182
where: short stacking energy: -363.477
Base-Backbone interact. energy: 1.123
local terms energy: -436.920497
where:
bonds (distance) C4'-P energy: -97.575
bonds (distance) P-C4' energy: -93.869
flat angles C4'-P-C4' energy: -78.646
flat angles P-C4'-P energy: -77.167
tors. eta vs tors. theta energy: -89.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -1110.577204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.577204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.577204 (E_RNA)
where:
Base-Base interactions energy: -731.746
where: short stacking energy: -298.855
Base-Backbone interact. energy: 0.188
local terms energy: -379.019551
where:
bonds (distance) C4'-P energy: -86.527
bonds (distance) P-C4' energy: -74.689
flat angles C4'-P-C4' energy: -100.018
flat angles P-C4'-P energy: -56.822
tors. eta vs tors. theta energy: -60.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -737.121213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.121213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.121213 (E_RNA)
where:
Base-Base interactions energy: -412.503
where: short stacking energy: -216.829
Base-Backbone interact. energy: -2.589
local terms energy: -322.029797
where:
bonds (distance) C4'-P energy: -88.275
bonds (distance) P-C4' energy: -91.794
flat angles C4'-P-C4' energy: -80.577
flat angles P-C4'-P energy: -41.801
tors. eta vs tors. theta energy: -19.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -1951.710195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1951.710195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1951.710195 (E_RNA)
where:
Base-Base interactions energy: -1370.954
where: short stacking energy: -568.056
Base-Backbone interact. energy: -3.830
local terms energy: -576.926012
where:
bonds (distance) C4'-P energy: -113.408
bonds (distance) P-C4' energy: -109.489
flat angles C4'-P-C4' energy: -116.468
flat angles P-C4'-P energy: -78.417
tors. eta vs tors. theta energy: -159.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -1894.995269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.995269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.995269 (E_RNA)
where:
Base-Base interactions energy: -1315.683
where: short stacking energy: -551.116
Base-Backbone interact. energy: -3.148
local terms energy: -576.164008
where:
bonds (distance) C4'-P energy: -97.511
bonds (distance) P-C4' energy: -106.754
flat angles C4'-P-C4' energy: -123.539
flat angles P-C4'-P energy: -85.673
tors. eta vs tors. theta energy: -162.688
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: 3
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -1763.245224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1763.245224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1763.245224 (E_RNA)
where:
Base-Base interactions energy: -1253.418
where: short stacking energy: -518.429
Base-Backbone interact. energy: -3.195
local terms energy: -506.632236
where:
bonds (distance) C4'-P energy: -93.029
bonds (distance) P-C4' energy: -94.575
flat angles C4'-P-C4' energy: -105.479
flat angles P-C4'-P energy: -71.748
tors. eta vs tors. theta energy: -141.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -1746.467180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1746.467180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1746.467180 (E_RNA)
where:
Base-Base interactions energy: -1248.661
where: short stacking energy: -519.075
Base-Backbone interact. energy: -1.899
local terms energy: -495.906776
where:
bonds (distance) C4'-P energy: -92.685
bonds (distance) P-C4' energy: -98.856
flat angles C4'-P-C4' energy: -99.470
flat angles P-C4'-P energy: -70.945
tors. eta vs tors. theta energy: -133.951
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: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -1606.393496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.393496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.393496 (E_RNA)
where:
Base-Base interactions energy: -1150.796
where: short stacking energy: -463.946
Base-Backbone interact. energy: 1.931
local terms energy: -457.527916
where:
bonds (distance) C4'-P energy: -87.850
bonds (distance) P-C4' energy: -80.213
flat angles C4'-P-C4' energy: -109.363
flat angles P-C4'-P energy: -58.227
tors. eta vs tors. theta energy: -121.876
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: 9
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -1470.269887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.269887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.269887 (E_RNA)
where:
Base-Base interactions energy: -1022.831
where: short stacking energy: -447.377
Base-Backbone interact. energy: -3.120
local terms energy: -444.318835
where:
bonds (distance) C4'-P energy: -78.514
bonds (distance) P-C4' energy: -100.184
flat angles C4'-P-C4' energy: -100.138
flat angles P-C4'-P energy: -55.515
tors. eta vs tors. theta energy: -109.968
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: 374
Temperature: 1.200000
Total energy: -1448.687118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1448.687118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1448.687118 (E_RNA)
where:
Base-Base interactions energy: -1000.435
where: short stacking energy: -436.652
Base-Backbone interact. energy: -2.872
local terms energy: -445.380132
where:
bonds (distance) C4'-P energy: -88.424
bonds (distance) P-C4' energy: -77.430
flat angles C4'-P-C4' energy: -103.741
flat angles P-C4'-P energy: -64.462
tors. eta vs tors. theta energy: -111.323
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: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -1301.185528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.185528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.185528 (E_RNA)
where:
Base-Base interactions energy: -907.388
where: short stacking energy: -370.976
Base-Backbone interact. energy: 0.040
local terms energy: -393.837384
where:
bonds (distance) C4'-P energy: -67.015
bonds (distance) P-C4' energy: -84.470
flat angles C4'-P-C4' energy: -83.918
flat angles P-C4'-P energy: -65.801
tors. eta vs tors. theta energy: -92.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -1120.701977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.701977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.701977 (E_RNA)
where:
Base-Base interactions energy: -727.520
where: short stacking energy: -302.485
Base-Backbone interact. energy: 0.085
local terms energy: -393.266981
where:
bonds (distance) C4'-P energy: -83.695
bonds (distance) P-C4' energy: -94.434
flat angles C4'-P-C4' energy: -83.992
flat angles P-C4'-P energy: -57.639
tors. eta vs tors. theta energy: -73.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -737.323470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.323470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.323470 (E_RNA)
where:
Base-Base interactions energy: -420.876
where: short stacking energy: -218.711
Base-Backbone interact. energy: 6.319
local terms energy: -322.766428
where:
bonds (distance) C4'-P energy: -76.454
bonds (distance) P-C4' energy: -94.838
flat angles C4'-P-C4' energy: -80.523
flat angles P-C4'-P energy: -45.340
tors. eta vs tors. theta energy: -25.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -1947.463317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.463317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.463317 (E_RNA)
where:
Base-Base interactions energy: -1374.901
where: short stacking energy: -562.246
Base-Backbone interact. energy: -3.280
local terms energy: -569.282043
where:
bonds (distance) C4'-P energy: -102.319
bonds (distance) P-C4' energy: -95.189
flat angles C4'-P-C4' energy: -124.912
flat angles P-C4'-P energy: -89.342
tors. eta vs tors. theta energy: -157.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -1893.229588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.229588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.229588 (E_RNA)
where:
Base-Base interactions energy: -1339.144
where: short stacking energy: -536.004
Base-Backbone interact. energy: 2.120
local terms energy: -556.205794
where:
bonds (distance) C4'-P energy: -104.162
bonds (distance) P-C4' energy: -106.751
flat angles C4'-P-C4' energy: -116.656
flat angles P-C4'-P energy: -80.827
tors. eta vs tors. theta energy: -147.810
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: 3
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -1769.154012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.154012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.154012 (E_RNA)
where:
Base-Base interactions energy: -1268.609
where: short stacking energy: -512.374
Base-Backbone interact. energy: -1.045
local terms energy: -499.500246
where:
bonds (distance) C4'-P energy: -84.426
bonds (distance) P-C4' energy: -98.991
flat angles C4'-P-C4' energy: -100.598
flat angles P-C4'-P energy: -70.603
tors. eta vs tors. theta energy: -144.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -1734.645699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.645699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.645699 (E_RNA)
where:
Base-Base interactions energy: -1247.475
where: short stacking energy: -496.135
Base-Backbone interact. energy: -2.417
local terms energy: -484.753391
where:
bonds (distance) C4'-P energy: -89.179
bonds (distance) P-C4' energy: -84.123
flat angles C4'-P-C4' energy: -117.305
flat angles P-C4'-P energy: -60.183
tors. eta vs tors. theta energy: -133.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -1648.190781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.190781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.190781 (E_RNA)
where:
Base-Base interactions energy: -1155.721
where: short stacking energy: -453.530
Base-Backbone interact. energy: 4.657
local terms energy: -497.126857
where:
bonds (distance) C4'-P energy: -85.295
bonds (distance) P-C4' energy: -100.867
flat angles C4'-P-C4' energy: -105.746
flat angles P-C4'-P energy: -73.783
tors. eta vs tors. theta energy: -131.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -1520.840647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.840647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.840647 (E_RNA)
where:
Base-Base interactions energy: -1043.367
where: short stacking energy: -442.432
Base-Backbone interact. energy: -1.820
local terms energy: -475.654221
where:
bonds (distance) C4'-P energy: -95.413
bonds (distance) P-C4' energy: -100.015
flat angles C4'-P-C4' energy: -103.676
flat angles P-C4'-P energy: -62.579
tors. eta vs tors. theta energy: -113.971
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: 9
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -1373.945097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1373.945097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1373.945097 (E_RNA)
where:
Base-Base interactions energy: -944.637
where: short stacking energy: -406.237
Base-Backbone interact. energy: -1.240
local terms energy: -428.067811
where:
bonds (distance) C4'-P energy: -88.707
bonds (distance) P-C4' energy: -93.476
flat angles C4'-P-C4' energy: -92.687
flat angles P-C4'-P energy: -61.176
tors. eta vs tors. theta energy: -92.022
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: 5
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -1297.345273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1297.345273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1297.345273 (E_RNA)
where:
Base-Base interactions energy: -882.054
where: short stacking energy: -359.442
Base-Backbone interact. energy: 0.119
local terms energy: -415.410072
where:
bonds (distance) C4'-P energy: -95.124
bonds (distance) P-C4' energy: -78.460
flat angles C4'-P-C4' energy: -99.678
flat angles P-C4'-P energy: -63.395
tors. eta vs tors. theta energy: -78.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -1161.224624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.224624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.224624 (E_RNA)
where:
Base-Base interactions energy: -778.709
where: short stacking energy: -322.863
Base-Backbone interact. energy: 0.305
local terms energy: -382.820077
where:
bonds (distance) C4'-P energy: -82.088
bonds (distance) P-C4' energy: -84.856
flat angles C4'-P-C4' energy: -85.540
flat angles P-C4'-P energy: -60.846
tors. eta vs tors. theta energy: -69.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -709.358341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.358341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.358341 (E_RNA)
where:
Base-Base interactions energy: -382.540
where: short stacking energy: -211.216
Base-Backbone interact. energy: 0.815
local terms energy: -327.633183
where:
bonds (distance) C4'-P energy: -92.723
bonds (distance) P-C4' energy: -74.191
flat angles C4'-P-C4' energy: -84.046
flat angles P-C4'-P energy: -57.870
tors. eta vs tors. theta energy: -18.804
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: 1, replica: 2
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -1918.976257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.976257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.976257 (E_RNA)
where:
Base-Base interactions energy: -1363.263
where: short stacking energy: -560.427
Base-Backbone interact. energy: -2.795
local terms energy: -552.918444
where:
bonds (distance) C4'-P energy: -94.179
bonds (distance) P-C4' energy: -104.636
flat angles C4'-P-C4' energy: -119.293
flat angles P-C4'-P energy: -81.276
tors. eta vs tors. theta energy: -153.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -1861.582424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1861.582424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1861.582424 (E_RNA)
where:
Base-Base interactions energy: -1329.754
where: short stacking energy: -531.453
Base-Backbone interact. energy: 1.865
local terms energy: -533.693867
where:
bonds (distance) C4'-P energy: -100.249
bonds (distance) P-C4' energy: -97.330
flat angles C4'-P-C4' energy: -107.134
flat angles P-C4'-P energy: -80.910
tors. eta vs tors. theta energy: -148.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -1797.392527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.392527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.392527 (E_RNA)
where:
Base-Base interactions energy: -1266.971
where: short stacking energy: -526.241
Base-Backbone interact. energy: -2.072
local terms energy: -528.349698
where:
bonds (distance) C4'-P energy: -95.586
bonds (distance) P-C4' energy: -88.212
flat angles C4'-P-C4' energy: -117.829
flat angles P-C4'-P energy: -84.864
tors. eta vs tors. theta energy: -141.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -1731.687841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.687841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.687841 (E_RNA)
where:
Base-Base interactions energy: -1224.585
where: short stacking energy: -499.625
Base-Backbone interact. energy: -2.601
local terms energy: -504.502224
where:
bonds (distance) C4'-P energy: -92.635
bonds (distance) P-C4' energy: -91.129
flat angles C4'-P-C4' energy: -111.363
flat angles P-C4'-P energy: -69.829
tors. eta vs tors. theta energy: -139.545
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: 8
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -1651.888366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1651.888366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1651.888366 (E_RNA)
where:
Base-Base interactions energy: -1160.269
where: short stacking energy: -445.737
Base-Backbone interact. energy: -4.157
local terms energy: -487.461948
where:
bonds (distance) C4'-P energy: -93.275
bonds (distance) P-C4' energy: -90.296
flat angles C4'-P-C4' energy: -97.303
flat angles P-C4'-P energy: -75.884
tors. eta vs tors. theta energy: -130.704
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: 7
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -1471.101884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.101884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.101884 (E_RNA)
where:
Base-Base interactions energy: -1023.046
where: short stacking energy: -436.558
Base-Backbone interact. energy: -1.992
local terms energy: -446.063619
where:
bonds (distance) C4'-P energy: -80.549
bonds (distance) P-C4' energy: -98.976
flat angles C4'-P-C4' energy: -100.415
flat angles P-C4'-P energy: -65.363
tors. eta vs tors. theta energy: -100.761
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: 5
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -1341.545133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.545133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.545133 (E_RNA)
where:
Base-Base interactions energy: -928.314
where: short stacking energy: -382.522
Base-Backbone interact. energy: -2.427
local terms energy: -410.803500
where:
bonds (distance) C4'-P energy: -80.113
bonds (distance) P-C4' energy: -96.777
flat angles C4'-P-C4' energy: -102.160
flat angles P-C4'-P energy: -57.008
tors. eta vs tors. theta energy: -74.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -1320.717474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.717474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.717474 (E_RNA)
where:
Base-Base interactions energy: -908.759
where: short stacking energy: -377.065
Base-Backbone interact. energy: 6.854
local terms energy: -418.813063
where:
bonds (distance) C4'-P energy: -87.533
bonds (distance) P-C4' energy: -94.778
flat angles C4'-P-C4' energy: -89.776
flat angles P-C4'-P energy: -53.832
tors. eta vs tors. theta energy: -92.894
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: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -1135.050818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1135.050818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1135.050818 (E_RNA)
where:
Base-Base interactions energy: -763.768
where: short stacking energy: -300.079
Base-Backbone interact. energy: -1.581
local terms energy: -369.701379
where:
bonds (distance) C4'-P energy: -92.975
bonds (distance) P-C4' energy: -67.458
flat angles C4'-P-C4' energy: -90.203
flat angles P-C4'-P energy: -65.572
tors. eta vs tors. theta energy: -53.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -686.729031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.729031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.729031 (E_RNA)
where:
Base-Base interactions energy: -407.499
where: short stacking energy: -198.721
Base-Backbone interact. energy: 3.706
local terms energy: -282.936315
where:
bonds (distance) C4'-P energy: -58.850
bonds (distance) P-C4' energy: -97.242
flat angles C4'-P-C4' energy: -71.553
flat angles P-C4'-P energy: -38.545
tors. eta vs tors. theta energy: -16.747
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: 2
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -1934.367001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.367001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.367001 (E_RNA)
where:
Base-Base interactions energy: -1384.717
where: short stacking energy: -564.914
Base-Backbone interact. energy: 1.214
local terms energy: -550.864242
where:
bonds (distance) C4'-P energy: -102.715
bonds (distance) P-C4' energy: -99.704
flat angles C4'-P-C4' energy: -112.988
flat angles P-C4'-P energy: -74.895
tors. eta vs tors. theta energy: -160.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -1886.009719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1886.009719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1886.009719 (E_RNA)
where:
Base-Base interactions energy: -1342.254
where: short stacking energy: -543.188
Base-Backbone interact. energy: -1.022
local terms energy: -542.733666
where:
bonds (distance) C4'-P energy: -87.358
bonds (distance) P-C4' energy: -100.613
flat angles C4'-P-C4' energy: -123.170
flat angles P-C4'-P energy: -72.916
tors. eta vs tors. theta energy: -158.677
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: 4
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -1819.407113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1819.407113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1819.407113 (E_RNA)
where:
Base-Base interactions energy: -1317.766
where: short stacking energy: -534.680
Base-Backbone interact. energy: -1.866
local terms energy: -499.775929
where:
bonds (distance) C4'-P energy: -97.504
bonds (distance) P-C4' energy: -85.250
flat angles C4'-P-C4' energy: -110.924
flat angles P-C4'-P energy: -67.087
tors. eta vs tors. theta energy: -139.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -1697.262403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1697.262403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1697.262403 (E_RNA)
where:
Base-Base interactions energy: -1205.318
where: short stacking energy: -472.586
Base-Backbone interact. energy: -1.919
local terms energy: -490.025963
where:
bonds (distance) C4'-P energy: -85.420
bonds (distance) P-C4' energy: -95.255
flat angles C4'-P-C4' energy: -116.414
flat angles P-C4'-P energy: -61.956
tors. eta vs tors. theta energy: -130.981
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: 5, replica: 8
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -1660.638276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1660.638276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1660.638276 (E_RNA)
where:
Base-Base interactions energy: -1171.521
where: short stacking energy: -496.866
Base-Backbone interact. energy: -2.023
local terms energy: -487.094525
where:
bonds (distance) C4'-P energy: -99.411
bonds (distance) P-C4' energy: -101.522
flat angles C4'-P-C4' energy: -105.921
flat angles P-C4'-P energy: -52.693
tors. eta vs tors. theta energy: -127.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -1492.039921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1492.039921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1492.039921 (E_RNA)
where:
Base-Base interactions energy: -1019.890
where: short stacking energy: -441.402
Base-Backbone interact. energy: 0.071
local terms energy: -472.221344
where:
bonds (distance) C4'-P energy: -85.310
bonds (distance) P-C4' energy: -100.363
flat angles C4'-P-C4' energy: -100.779
flat angles P-C4'-P energy: -68.610
tors. eta vs tors. theta energy: -117.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -1304.744349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1304.744349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1304.744349 (E_RNA)
where:
Base-Base interactions energy: -904.031
where: short stacking energy: -374.447
Base-Backbone interact. energy: -2.036
local terms energy: -398.676632
where:
bonds (distance) C4'-P energy: -84.083
bonds (distance) P-C4' energy: -87.059
flat angles C4'-P-C4' energy: -88.126
flat angles P-C4'-P energy: -52.038
tors. eta vs tors. theta energy: -87.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -1321.880801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.880801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.880801 (E_RNA)
where:
Base-Base interactions energy: -919.150
where: short stacking energy: -388.808
Base-Backbone interact. energy: -2.192
local terms energy: -400.538953
where:
bonds (distance) C4'-P energy: -84.815
bonds (distance) P-C4' energy: -75.178
flat angles C4'-P-C4' energy: -80.483
flat angles P-C4'-P energy: -65.073
tors. eta vs tors. theta energy: -94.990
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: 6
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -1177.087972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.087972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.087972 (E_RNA)
where:
Base-Base interactions energy: -807.102
where: short stacking energy: -357.360
Base-Backbone interact. energy: -2.419
local terms energy: -367.566525
where:
bonds (distance) C4'-P energy: -85.635
bonds (distance) P-C4' energy: -83.200
flat angles C4'-P-C4' energy: -57.591
flat angles P-C4'-P energy: -57.404
tors. eta vs tors. theta energy: -83.737
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: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -710.908768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -710.908768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -710.908768 (E_RNA)
where:
Base-Base interactions energy: -425.717
where: short stacking energy: -205.940
Base-Backbone interact. energy: -1.644
local terms energy: -283.548079
where:
bonds (distance) C4'-P energy: -75.274
bonds (distance) P-C4' energy: -70.748
flat angles C4'-P-C4' energy: -90.842
flat angles P-C4'-P energy: -37.002
tors. eta vs tors. theta energy: -9.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -1928.055800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.055800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.055800 (E_RNA)
where:
Base-Base interactions energy: -1356.055
where: short stacking energy: -576.711
Base-Backbone interact. energy: -2.394
local terms energy: -569.607380
where:
bonds (distance) C4'-P energy: -112.231
bonds (distance) P-C4' energy: -105.755
flat angles C4'-P-C4' energy: -119.463
flat angles P-C4'-P energy: -71.709
tors. eta vs tors. theta energy: -160.448
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: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -1883.279786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.279786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.279786 (E_RNA)
where:
Base-Base interactions energy: -1345.854
where: short stacking energy: -544.567
Base-Backbone interact. energy: 5.238
local terms energy: -542.663418
where:
bonds (distance) C4'-P energy: -85.801
bonds (distance) P-C4' energy: -104.990
flat angles C4'-P-C4' energy: -108.428
flat angles P-C4'-P energy: -86.014
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: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -1823.340045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.340045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.340045 (E_RNA)
where:
Base-Base interactions energy: -1297.965
where: short stacking energy: -540.958
Base-Backbone interact. energy: -2.445
local terms energy: -522.929140
where:
bonds (distance) C4'-P energy: -90.605
bonds (distance) P-C4' energy: -98.007
flat angles C4'-P-C4' energy: -115.902
flat angles P-C4'-P energy: -78.846
tors. eta vs tors. theta energy: -139.568
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: 3
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -1715.280230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.280230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.280230 (E_RNA)
where:
Base-Base interactions energy: -1208.025
where: short stacking energy: -481.615
Base-Backbone interact. energy: -4.513
local terms energy: -502.742843
where:
bonds (distance) C4'-P energy: -99.920
bonds (distance) P-C4' energy: -96.564
flat angles C4'-P-C4' energy: -110.325
flat angles P-C4'-P energy: -72.097
tors. eta vs tors. theta energy: -123.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -1640.265416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.265416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.265416 (E_RNA)
where:
Base-Base interactions energy: -1178.642
where: short stacking energy: -457.841
Base-Backbone interact. energy: -1.209
local terms energy: -460.414892
where:
bonds (distance) C4'-P energy: -91.920
bonds (distance) P-C4' energy: -82.329
flat angles C4'-P-C4' energy: -100.605
flat angles P-C4'-P energy: -69.090
tors. eta vs tors. theta energy: -116.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -1519.898973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1519.898973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1519.898973 (E_RNA)
where:
Base-Base interactions energy: -1083.234
where: short stacking energy: -458.462
Base-Backbone interact. energy: -0.650
local terms energy: -436.015363
where:
bonds (distance) C4'-P energy: -77.851
bonds (distance) P-C4' energy: -78.811
flat angles C4'-P-C4' energy: -100.459
flat angles P-C4'-P energy: -71.729
tors. eta vs tors. theta energy: -107.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -1411.200505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.200505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.200505 (E_RNA)
where:
Base-Base interactions energy: -985.356
where: short stacking energy: -402.954
Base-Backbone interact. energy: -1.633
local terms energy: -424.210907
where:
bonds (distance) C4'-P energy: -86.019
bonds (distance) P-C4' energy: -82.013
flat angles C4'-P-C4' energy: -102.102
flat angles P-C4'-P energy: -66.616
tors. eta vs tors. theta energy: -87.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -1268.039673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.039673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.039673 (E_RNA)
where:
Base-Base interactions energy: -867.655
where: short stacking energy: -365.637
Base-Backbone interact. energy: 2.767
local terms energy: -403.151577
where:
bonds (distance) C4'-P energy: -64.556
bonds (distance) P-C4' energy: -84.896
flat angles C4'-P-C4' energy: -94.457
flat angles P-C4'-P energy: -63.613
tors. eta vs tors. theta energy: -95.630
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: 6
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -1119.072638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1119.072638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1119.072638 (E_RNA)
where:
Base-Base interactions energy: -767.836
where: short stacking energy: -325.364
Base-Backbone interact. energy: -0.333
local terms energy: -350.902934
where:
bonds (distance) C4'-P energy: -62.319
bonds (distance) P-C4' energy: -90.507
flat angles C4'-P-C4' energy: -80.732
flat angles P-C4'-P energy: -53.311
tors. eta vs tors. theta energy: -64.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -707.676158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.676158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.676158 (E_RNA)
where:
Base-Base interactions energy: -411.509
where: short stacking energy: -213.937
Base-Backbone interact. energy: -1.974
local terms energy: -294.192677
where:
bonds (distance) C4'-P energy: -74.130
bonds (distance) P-C4' energy: -82.545
flat angles C4'-P-C4' energy: -79.276
flat angles P-C4'-P energy: -48.148
tors. eta vs tors. theta energy: -10.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -1931.824760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1931.824760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1931.824760 (E_RNA)
where:
Base-Base interactions energy: -1364.680
where: short stacking energy: -552.477
Base-Backbone interact. energy: -4.451
local terms energy: -562.693845
where:
bonds (distance) C4'-P energy: -89.228
bonds (distance) P-C4' energy: -114.529
flat angles C4'-P-C4' energy: -116.954
flat angles P-C4'-P energy: -82.505
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: 2, replica: 1
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -1872.678645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.678645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.678645 (E_RNA)
where:
Base-Base interactions energy: -1317.571
where: short stacking energy: -529.297
Base-Backbone interact. energy: -1.025
local terms energy: -554.081737
where:
bonds (distance) C4'-P energy: -96.401
bonds (distance) P-C4' energy: -101.223
flat angles C4'-P-C4' energy: -123.777
flat angles P-C4'-P energy: -80.059
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: 3, replica: 4
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -1833.688150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1833.688150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1833.688150 (E_RNA)
where:
Base-Base interactions energy: -1309.651
where: short stacking energy: -543.494
Base-Backbone interact. energy: -2.682
local terms energy: -521.355580
where:
bonds (distance) C4'-P energy: -97.740
bonds (distance) P-C4' energy: -101.443
flat angles C4'-P-C4' energy: -111.980
flat angles P-C4'-P energy: -66.776
tors. eta vs tors. theta energy: -143.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -1712.258234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1712.258234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1712.258234 (E_RNA)
where:
Base-Base interactions energy: -1230.879
where: short stacking energy: -491.285
Base-Backbone interact. energy: -1.773
local terms energy: -479.606064
where:
bonds (distance) C4'-P energy: -86.734
bonds (distance) P-C4' energy: -101.324
flat angles C4'-P-C4' energy: -112.841
flat angles P-C4'-P energy: -53.048
tors. eta vs tors. theta energy: -125.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -1644.992131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1644.992131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1644.992131 (E_RNA)
where:
Base-Base interactions energy: -1192.500
where: short stacking energy: -470.374
Base-Backbone interact. energy: 2.071
local terms energy: -454.563474
where:
bonds (distance) C4'-P energy: -88.496
bonds (distance) P-C4' energy: -77.864
flat angles C4'-P-C4' energy: -108.613
flat angles P-C4'-P energy: -61.490
tors. eta vs tors. theta energy: -118.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -1550.719036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.719036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.719036 (E_RNA)
where:
Base-Base interactions energy: -1088.408
where: short stacking energy: -454.385
Base-Backbone interact. energy: -3.408
local terms energy: -458.903351
where:
bonds (distance) C4'-P energy: -84.669
bonds (distance) P-C4' energy: -91.151
flat angles C4'-P-C4' energy: -100.301
flat angles P-C4'-P energy: -63.089
tors. eta vs tors. theta energy: -119.694
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: 9
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -1389.560560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.560560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.560560 (E_RNA)
where:
Base-Base interactions energy: -969.526
where: short stacking energy: -397.484
Base-Backbone interact. energy: 3.608
local terms energy: -423.641889
where:
bonds (distance) C4'-P energy: -98.832
bonds (distance) P-C4' energy: -81.131
flat angles C4'-P-C4' energy: -95.074
flat angles P-C4'-P energy: -63.329
tors. eta vs tors. theta energy: -85.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -1319.270540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1319.270540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1319.270540 (E_RNA)
where:
Base-Base interactions energy: -907.611
where: short stacking energy: -382.397
Base-Backbone interact. energy: 6.208
local terms energy: -417.867816
where:
bonds (distance) C4'-P energy: -75.520
bonds (distance) P-C4' energy: -100.356
flat angles C4'-P-C4' energy: -94.104
flat angles P-C4'-P energy: -62.616
tors. eta vs tors. theta energy: -85.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -1129.750456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1129.750456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1129.750456 (E_RNA)
where:
Base-Base interactions energy: -749.084
where: short stacking energy: -343.685
Base-Backbone interact. energy: 0.009
local terms energy: -380.675777
where:
bonds (distance) C4'-P energy: -77.165
bonds (distance) P-C4' energy: -88.543
flat angles C4'-P-C4' energy: -94.331
flat angles P-C4'-P energy: -51.251
tors. eta vs tors. theta energy: -69.385
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: 10, replica: 10
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -709.681051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -709.681051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -709.681051 (E_RNA)
where:
Base-Base interactions energy: -401.639
where: short stacking energy: -197.748
Base-Backbone interact. energy: 3.448
local terms energy: -311.489663
where:
bonds (distance) C4'-P energy: -94.131
bonds (distance) P-C4' energy: -87.053
flat angles C4'-P-C4' energy: -75.447
flat angles P-C4'-P energy: -37.092
tors. eta vs tors. theta energy: -17.767
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: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -1908.117614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.117614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.117614 (E_RNA)
where:
Base-Base interactions energy: -1346.578
where: short stacking energy: -544.416
Base-Backbone interact. energy: -2.558
local terms energy: -558.982117
where:
bonds (distance) C4'-P energy: -95.400
bonds (distance) P-C4' energy: -108.242
flat angles C4'-P-C4' energy: -119.678
flat angles P-C4'-P energy: -84.375
tors. eta vs tors. theta energy: -151.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -1871.191915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1871.191915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1871.191915 (E_RNA)
where:
Base-Base interactions energy: -1329.397
where: short stacking energy: -536.465
Base-Backbone interact. energy: -1.901
local terms energy: -539.893459
where:
bonds (distance) C4'-P energy: -98.775
bonds (distance) P-C4' energy: -104.476
flat angles C4'-P-C4' energy: -114.432
flat angles P-C4'-P energy: -77.901
tors. eta vs tors. theta energy: -144.308
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: 4
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -1821.451519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1821.451519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1821.451519 (E_RNA)
where:
Base-Base interactions energy: -1294.582
where: short stacking energy: -518.677
Base-Backbone interact. energy: 5.306
local terms energy: -532.176323
where:
bonds (distance) C4'-P energy: -100.963
bonds (distance) P-C4' energy: -103.649
flat angles C4'-P-C4' energy: -112.575
flat angles P-C4'-P energy: -73.905
tors. eta vs tors. theta energy: -141.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -1741.203405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.203405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.203405 (E_RNA)
where:
Base-Base interactions energy: -1243.768
where: short stacking energy: -488.969
Base-Backbone interact. energy: -2.666
local terms energy: -494.770020
where:
bonds (distance) C4'-P energy: -92.169
bonds (distance) P-C4' energy: -83.567
flat angles C4'-P-C4' energy: -111.930
flat angles P-C4'-P energy: -73.774
tors. eta vs tors. theta energy: -133.330
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: 8
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -1637.110012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1637.110012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1637.110012 (E_RNA)
where:
Base-Base interactions energy: -1180.702
where: short stacking energy: -507.499
Base-Backbone interact. energy: 1.402
local terms energy: -457.809605
where:
bonds (distance) C4'-P energy: -53.836
bonds (distance) P-C4' energy: -89.846
flat angles C4'-P-C4' energy: -106.275
flat angles P-C4'-P energy: -74.159
tors. eta vs tors. theta energy: -133.694
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: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -1523.055959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1523.055959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1523.055959 (E_RNA)
where:
Base-Base interactions energy: -1073.794
where: short stacking energy: -442.465
Base-Backbone interact. energy: 3.837
local terms energy: -453.098552
where:
bonds (distance) C4'-P energy: -92.676
bonds (distance) P-C4' energy: -93.024
flat angles C4'-P-C4' energy: -97.873
flat angles P-C4'-P energy: -65.668
tors. eta vs tors. theta energy: -103.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -1368.766577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.766577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.766577 (E_RNA)
where:
Base-Base interactions energy: -941.070
where: short stacking energy: -399.573
Base-Backbone interact. energy: -1.683
local terms energy: -426.012880
where:
bonds (distance) C4'-P energy: -87.230
bonds (distance) P-C4' energy: -93.425
flat angles C4'-P-C4' energy: -91.494
flat angles P-C4'-P energy: -60.721
tors. eta vs tors. theta energy: -93.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -1270.445382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.445382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.445382 (E_RNA)
where:
Base-Base interactions energy: -880.644
where: short stacking energy: -346.015
Base-Backbone interact. energy: -1.815
local terms energy: -387.986434
where:
bonds (distance) C4'-P energy: -87.122
bonds (distance) P-C4' energy: -79.006
flat angles C4'-P-C4' energy: -96.009
flat angles P-C4'-P energy: -53.601
tors. eta vs tors. theta energy: -72.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -1138.542949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1138.542949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1138.542949 (E_RNA)
where:
Base-Base interactions energy: -765.368
where: short stacking energy: -327.048
Base-Backbone interact. energy: 2.062
local terms energy: -375.237294
where:
bonds (distance) C4'-P energy: -69.224
bonds (distance) P-C4' energy: -90.378
flat angles C4'-P-C4' energy: -90.137
flat angles P-C4'-P energy: -60.784
tors. eta vs tors. theta energy: -64.714
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: 10
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -666.097368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -666.097368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -666.097368 (E_RNA)
where:
Base-Base interactions energy: -357.228
where: short stacking energy: -201.380
Base-Backbone interact. energy: -2.197
local terms energy: -306.671986
where:
bonds (distance) C4'-P energy: -85.460
bonds (distance) P-C4' energy: -72.476
flat angles C4'-P-C4' energy: -94.912
flat angles P-C4'-P energy: -46.610
tors. eta vs tors. theta energy: -7.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -1935.389762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.389762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.389762 (E_RNA)
where:
Base-Base interactions energy: -1378.961
where: short stacking energy: -570.286
Base-Backbone interact. energy: -1.527
local terms energy: -554.901531
where:
bonds (distance) C4'-P energy: -109.401
bonds (distance) P-C4' energy: -95.991
flat angles C4'-P-C4' energy: -110.309
flat angles P-C4'-P energy: -82.047
tors. eta vs tors. theta energy: -157.154
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: 1
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -1852.409257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1852.409257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1852.409257 (E_RNA)
where:
Base-Base interactions energy: -1304.044
where: short stacking energy: -512.472
Base-Backbone interact. energy: -0.343
local terms energy: -548.021675
where:
bonds (distance) C4'-P energy: -101.448
bonds (distance) P-C4' energy: -102.824
flat angles C4'-P-C4' energy: -120.021
flat angles P-C4'-P energy: -77.822
tors. eta vs tors. theta energy: -145.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -1834.154997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1834.154997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1834.154997 (E_RNA)
where:
Base-Base interactions energy: -1292.425
where: short stacking energy: -529.903
Base-Backbone interact. energy: -2.493
local terms energy: -539.237032
where:
bonds (distance) C4'-P energy: -100.762
bonds (distance) P-C4' energy: -105.375
flat angles C4'-P-C4' energy: -109.415
flat angles P-C4'-P energy: -75.945
tors. eta vs tors. theta energy: -147.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -1730.669751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.669751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.669751 (E_RNA)
where:
Base-Base interactions energy: -1240.929
where: short stacking energy: -470.879
Base-Backbone interact. energy: -2.584
local terms energy: -487.156768
where:
bonds (distance) C4'-P energy: -87.060
bonds (distance) P-C4' energy: -83.737
flat angles C4'-P-C4' energy: -109.021
flat angles P-C4'-P energy: -80.684
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: 5, replica: 8
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -1661.363369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.363369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.363369 (E_RNA)
where:
Base-Base interactions energy: -1160.835
where: short stacking energy: -465.854
Base-Backbone interact. energy: -0.352
local terms energy: -500.176177
where:
bonds (distance) C4'-P energy: -95.082
bonds (distance) P-C4' energy: -84.642
flat angles C4'-P-C4' energy: -115.587
flat angles P-C4'-P energy: -74.606
tors. eta vs tors. theta energy: -130.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -1531.139416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1531.139416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1531.139416 (E_RNA)
where:
Base-Base interactions energy: -1063.174
where: short stacking energy: -438.162
Base-Backbone interact. energy: -0.709
local terms energy: -467.255929
where:
bonds (distance) C4'-P energy: -92.937
bonds (distance) P-C4' energy: -88.990
flat angles C4'-P-C4' energy: -99.578
flat angles P-C4'-P energy: -65.188
tors. eta vs tors. theta energy: -120.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -1380.474278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.474278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.474278 (E_RNA)
where:
Base-Base interactions energy: -965.097
where: short stacking energy: -406.428
Base-Backbone interact. energy: 0.577
local terms energy: -415.954685
where:
bonds (distance) C4'-P energy: -79.810
bonds (distance) P-C4' energy: -97.954
flat angles C4'-P-C4' energy: -92.207
flat angles P-C4'-P energy: -52.953
tors. eta vs tors. theta energy: -93.030
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: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -1314.816357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.816357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.816357 (E_RNA)
where:
Base-Base interactions energy: -924.469
where: short stacking energy: -396.078
Base-Backbone interact. energy: -1.881
local terms energy: -388.466458
where:
bonds (distance) C4'-P energy: -79.212
bonds (distance) P-C4' energy: -64.844
flat angles C4'-P-C4' energy: -97.386
flat angles P-C4'-P energy: -48.404
tors. eta vs tors. theta energy: -98.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -1108.235584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1108.235584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1108.235584 (E_RNA)
where:
Base-Base interactions energy: -737.035
where: short stacking energy: -299.578
Base-Backbone interact. energy: 4.365
local terms energy: -375.565568
where:
bonds (distance) C4'-P energy: -95.371
bonds (distance) P-C4' energy: -62.054
flat angles C4'-P-C4' energy: -102.087
flat angles P-C4'-P energy: -59.415
tors. eta vs tors. theta energy: -56.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -717.171675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -717.171675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -717.171675 (E_RNA)
where:
Base-Base interactions energy: -408.222
where: short stacking energy: -211.893
Base-Backbone interact. energy: -2.924
local terms energy: -306.025602
where:
bonds (distance) C4'-P energy: -68.656
bonds (distance) P-C4' energy: -89.154
flat angles C4'-P-C4' energy: -79.890
flat angles P-C4'-P energy: -51.190
tors. eta vs tors. theta energy: -17.135
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: 382
Temperature: 0.900000
Total energy: -1926.627355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.627355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.627355 (E_RNA)
where:
Base-Base interactions energy: -1367.148
where: short stacking energy: -576.559
Base-Backbone interact. energy: -1.085
local terms energy: -558.394522
where:
bonds (distance) C4'-P energy: -112.131
bonds (distance) P-C4' energy: -97.729
flat angles C4'-P-C4' energy: -112.883
flat angles P-C4'-P energy: -83.455
tors. eta vs tors. theta energy: -152.196
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: 1
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -1867.816229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.816229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.816229 (E_RNA)
where:
Base-Base interactions energy: -1320.569
where: short stacking energy: -508.909
Base-Backbone interact. energy: -0.234
local terms energy: -547.013526
where:
bonds (distance) C4'-P energy: -103.152
bonds (distance) P-C4' energy: -108.503
flat angles C4'-P-C4' energy: -119.841
flat angles P-C4'-P energy: -71.660
tors. eta vs tors. theta energy: -143.857
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: 382
Temperature: 1.000000
Total energy: -1792.847837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.847837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.847837 (E_RNA)
where:
Base-Base interactions energy: -1272.648
where: short stacking energy: -535.212
Base-Backbone interact. energy: -3.309
local terms energy: -516.890485
where:
bonds (distance) C4'-P energy: -94.530
bonds (distance) P-C4' energy: -92.256
flat angles C4'-P-C4' energy: -113.450
flat angles P-C4'-P energy: -75.533
tors. eta vs tors. theta energy: -141.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -1760.902715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.902715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.902715 (E_RNA)
where:
Base-Base interactions energy: -1277.005
where: short stacking energy: -513.826
Base-Backbone interact. energy: -1.725
local terms energy: -482.172523
where:
bonds (distance) C4'-P energy: -88.038
bonds (distance) P-C4' energy: -100.121
flat angles C4'-P-C4' energy: -101.950
flat angles P-C4'-P energy: -65.108
tors. eta vs tors. theta energy: -126.955
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: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -1603.695312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.695312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.695312 (E_RNA)
where:
Base-Base interactions energy: -1114.158
where: short stacking energy: -459.854
Base-Backbone interact. energy: -3.286
local terms energy: -486.252149
where:
bonds (distance) C4'-P energy: -98.997
bonds (distance) P-C4' energy: -95.100
flat angles C4'-P-C4' energy: -109.032
flat angles P-C4'-P energy: -64.689
tors. eta vs tors. theta energy: -118.435
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: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -1541.654567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.654567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.654567 (E_RNA)
where:
Base-Base interactions energy: -1072.768
where: short stacking energy: -436.356
Base-Backbone interact. energy: 4.636
local terms energy: -473.522243
where:
bonds (distance) C4'-P energy: -78.345
bonds (distance) P-C4' energy: -99.108
flat angles C4'-P-C4' energy: -106.808
flat angles P-C4'-P energy: -65.866
tors. eta vs tors. theta energy: -123.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -1365.783299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1365.783299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1365.783299 (E_RNA)
where:
Base-Base interactions energy: -946.744
where: short stacking energy: -403.109
Base-Backbone interact. energy: -2.386
local terms energy: -416.653251
where:
bonds (distance) C4'-P energy: -80.744
bonds (distance) P-C4' energy: -84.403
flat angles C4'-P-C4' energy: -87.071
flat angles P-C4'-P energy: -70.134
tors. eta vs tors. theta energy: -94.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -1332.624926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1332.624926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1332.624926 (E_RNA)
where:
Base-Base interactions energy: -906.032
where: short stacking energy: -342.604
Base-Backbone interact. energy: -0.857
local terms energy: -425.735529
where:
bonds (distance) C4'-P energy: -97.625
bonds (distance) P-C4' energy: -86.090
flat angles C4'-P-C4' energy: -84.476
flat angles P-C4'-P energy: -59.333
tors. eta vs tors. theta energy: -98.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -1123.442996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.442996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.442996 (E_RNA)
where:
Base-Base interactions energy: -768.714
where: short stacking energy: -331.744
Base-Backbone interact. energy: -0.565
local terms energy: -354.164176
where:
bonds (distance) C4'-P energy: -67.826
bonds (distance) P-C4' energy: -66.659
flat angles C4'-P-C4' energy: -78.948
flat angles P-C4'-P energy: -74.326
tors. eta vs tors. theta energy: -66.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -733.925427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.925427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.925427 (E_RNA)
where:
Base-Base interactions energy: -407.772
where: short stacking energy: -201.474
Base-Backbone interact. energy: -1.683
local terms energy: -324.470458
where:
bonds (distance) C4'-P energy: -87.715
bonds (distance) P-C4' energy: -98.440
flat angles C4'-P-C4' energy: -80.642
flat angles P-C4'-P energy: -44.137
tors. eta vs tors. theta energy: -13.537
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: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -1888.868262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.868262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.868262 (E_RNA)
where:
Base-Base interactions energy: -1337.864
where: short stacking energy: -550.876
Base-Backbone interact. energy: -0.017
local terms energy: -550.988008
where:
bonds (distance) C4'-P energy: -93.922
bonds (distance) P-C4' energy: -101.032
flat angles C4'-P-C4' energy: -122.479
flat angles P-C4'-P energy: -84.328
tors. eta vs tors. theta energy: -149.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -1868.736188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.736188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.736188 (E_RNA)
where:
Base-Base interactions energy: -1315.345
where: short stacking energy: -520.574
Base-Backbone interact. energy: 0.586
local terms energy: -553.976773
where:
bonds (distance) C4'-P energy: -96.178
bonds (distance) P-C4' energy: -113.762
flat angles C4'-P-C4' energy: -118.679
flat angles P-C4'-P energy: -83.223
tors. eta vs tors. theta energy: -142.135
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: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -1784.823391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.823391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.823391 (E_RNA)
where:
Base-Base interactions energy: -1279.860
where: short stacking energy: -522.999
Base-Backbone interact. energy: -3.312
local terms energy: -501.651916
where:
bonds (distance) C4'-P energy: -86.406
bonds (distance) P-C4' energy: -96.321
flat angles C4'-P-C4' energy: -102.772
flat angles P-C4'-P energy: -67.583
tors. eta vs tors. theta energy: -148.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -1770.748117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.748117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.748117 (E_RNA)
where:
Base-Base interactions energy: -1259.389
where: short stacking energy: -520.099
Base-Backbone interact. energy: -3.321
local terms energy: -508.037909
where:
bonds (distance) C4'-P energy: -103.128
bonds (distance) P-C4' energy: -80.327
flat angles C4'-P-C4' energy: -106.465
flat angles P-C4'-P energy: -73.950
tors. eta vs tors. theta energy: -144.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -1620.095018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1620.095018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1620.095018 (E_RNA)
where:
Base-Base interactions energy: -1097.862
where: short stacking energy: -466.470
Base-Backbone interact. energy: -0.713
local terms energy: -521.519631
where:
bonds (distance) C4'-P energy: -98.397
bonds (distance) P-C4' energy: -97.196
flat angles C4'-P-C4' energy: -107.344
flat angles P-C4'-P energy: -82.628
tors. eta vs tors. theta energy: -135.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -1533.678734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.678734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.678734 (E_RNA)
where:
Base-Base interactions energy: -1076.206
where: short stacking energy: -463.675
Base-Backbone interact. energy: -0.394
local terms energy: -457.078565
where:
bonds (distance) C4'-P energy: -61.559
bonds (distance) P-C4' energy: -90.847
flat angles C4'-P-C4' energy: -106.533
flat angles P-C4'-P energy: -77.481
tors. eta vs tors. theta energy: -120.659
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: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -1374.791873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.791873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.791873 (E_RNA)
where:
Base-Base interactions energy: -943.937
where: short stacking energy: -390.073
Base-Backbone interact. energy: -0.761
local terms energy: -430.094455
where:
bonds (distance) C4'-P energy: -82.968
bonds (distance) P-C4' energy: -90.588
flat angles C4'-P-C4' energy: -101.727
flat angles P-C4'-P energy: -66.251
tors. eta vs tors. theta energy: -88.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -1334.427430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.427430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.427430 (E_RNA)
where:
Base-Base interactions energy: -905.617
where: short stacking energy: -382.437
Base-Backbone interact. energy: -0.720
local terms energy: -428.089832
where:
bonds (distance) C4'-P energy: -82.779
bonds (distance) P-C4' energy: -92.742
flat angles C4'-P-C4' energy: -98.092
flat angles P-C4'-P energy: -52.460
tors. eta vs tors. theta energy: -102.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -1189.646954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1189.646954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1189.646954 (E_RNA)
where:
Base-Base interactions energy: -816.660
where: short stacking energy: -322.506
Base-Backbone interact. energy: -1.374
local terms energy: -371.612819
where:
bonds (distance) C4'-P energy: -86.675
bonds (distance) P-C4' energy: -79.692
flat angles C4'-P-C4' energy: -93.731
flat angles P-C4'-P energy: -48.243
tors. eta vs tors. theta energy: -63.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -716.535081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.535081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.535081 (E_RNA)
where:
Base-Base interactions energy: -431.404
where: short stacking energy: -205.334
Base-Backbone interact. energy: -3.121
local terms energy: -282.009789
where:
bonds (distance) C4'-P energy: -86.405
bonds (distance) P-C4' energy: -73.959
flat angles C4'-P-C4' energy: -66.648
flat angles P-C4'-P energy: -32.554
tors. eta vs tors. theta energy: -22.444
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: 1, replica: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -1911.360145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.360145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.360145 (E_RNA)
where:
Base-Base interactions energy: -1343.231
where: short stacking energy: -544.327
Base-Backbone interact. energy: -2.499
local terms energy: -565.629728
where:
bonds (distance) C4'-P energy: -113.460
bonds (distance) P-C4' energy: -101.167
flat angles C4'-P-C4' energy: -122.972
flat angles P-C4'-P energy: -74.876
tors. eta vs tors. theta energy: -153.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -1867.171579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.171579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.171579 (E_RNA)
where:
Base-Base interactions energy: -1344.271
where: short stacking energy: -535.164
Base-Backbone interact. energy: -0.653
local terms energy: -522.248137
where:
bonds (distance) C4'-P energy: -90.954
bonds (distance) P-C4' energy: -110.548
flat angles C4'-P-C4' energy: -112.997
flat angles P-C4'-P energy: -60.562
tors. eta vs tors. theta energy: -147.188
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: 384
Temperature: 1.000000
Total energy: -1850.029126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1850.029126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1850.029126 (E_RNA)
where:
Base-Base interactions energy: -1315.686
where: short stacking energy: -523.174
Base-Backbone interact. energy: 0.218
local terms energy: -534.561064
where:
bonds (distance) C4'-P energy: -91.385
bonds (distance) P-C4' energy: -104.076
flat angles C4'-P-C4' energy: -113.342
flat angles P-C4'-P energy: -77.422
tors. eta vs tors. theta energy: -148.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -1706.514736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.514736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.514736 (E_RNA)
where:
Base-Base interactions energy: -1215.782
where: short stacking energy: -474.376
Base-Backbone interact. energy: -0.043
local terms energy: -490.689995
where:
bonds (distance) C4'-P energy: -84.821
bonds (distance) P-C4' energy: -93.919
flat angles C4'-P-C4' energy: -106.246
flat angles P-C4'-P energy: -75.431
tors. eta vs tors. theta energy: -130.273
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: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -1641.588316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.588316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.588316 (E_RNA)
where:
Base-Base interactions energy: -1168.648
where: short stacking energy: -488.694
Base-Backbone interact. energy: 1.915
local terms energy: -474.855020
where:
bonds (distance) C4'-P energy: -89.421
bonds (distance) P-C4' energy: -91.791
flat angles C4'-P-C4' energy: -102.301
flat angles P-C4'-P energy: -66.401
tors. eta vs tors. theta energy: -124.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -1544.848560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1544.848560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1544.848560 (E_RNA)
where:
Base-Base interactions energy: -1069.638
where: short stacking energy: -453.900
Base-Backbone interact. energy: 1.243
local terms energy: -476.454031
where:
bonds (distance) C4'-P energy: -93.948
bonds (distance) P-C4' energy: -102.052
flat angles C4'-P-C4' energy: -100.652
flat angles P-C4'-P energy: -62.987
tors. eta vs tors. theta energy: -116.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -1369.870035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.870035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.870035 (E_RNA)
where:
Base-Base interactions energy: -949.195
where: short stacking energy: -392.697
Base-Backbone interact. energy: 3.004
local terms energy: -423.679146
where:
bonds (distance) C4'-P energy: -78.563
bonds (distance) P-C4' energy: -100.671
flat angles C4'-P-C4' energy: -101.816
flat angles P-C4'-P energy: -47.364
tors. eta vs tors. theta energy: -95.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -1333.993008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.993008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.993008 (E_RNA)
where:
Base-Base interactions energy: -911.034
where: short stacking energy: -366.829
Base-Backbone interact. energy: -2.522
local terms energy: -420.437354
where:
bonds (distance) C4'-P energy: -99.472
bonds (distance) P-C4' energy: -86.980
flat angles C4'-P-C4' energy: -92.993
flat angles P-C4'-P energy: -59.267
tors. eta vs tors. theta energy: -81.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -1153.019861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1153.019861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1153.019861 (E_RNA)
where:
Base-Base interactions energy: -782.626
where: short stacking energy: -324.507
Base-Backbone interact. energy: 0.575
local terms energy: -370.968810
where:
bonds (distance) C4'-P energy: -81.487
bonds (distance) P-C4' energy: -79.856
flat angles C4'-P-C4' energy: -76.622
flat angles P-C4'-P energy: -61.110
tors. eta vs tors. theta energy: -71.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -724.302422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.302422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.302422 (E_RNA)
where:
Base-Base interactions energy: -426.006
where: short stacking energy: -202.071
Base-Backbone interact. energy: 4.916
local terms energy: -303.212419
where:
bonds (distance) C4'-P energy: -73.131
bonds (distance) P-C4' energy: -82.632
flat angles C4'-P-C4' energy: -80.164
flat angles P-C4'-P energy: -55.878
tors. eta vs tors. theta energy: -11.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -1919.888009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1919.888009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1919.888009 (E_RNA)
where:
Base-Base interactions energy: -1358.816
where: short stacking energy: -551.111
Base-Backbone interact. energy: -0.537
local terms energy: -560.534721
where:
bonds (distance) C4'-P energy: -105.634
bonds (distance) P-C4' energy: -106.889
flat angles C4'-P-C4' energy: -115.695
flat angles P-C4'-P energy: -78.287
tors. eta vs tors. theta energy: -154.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -1878.752412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.752412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.752412 (E_RNA)
where:
Base-Base interactions energy: -1326.562
where: short stacking energy: -504.833
Base-Backbone interact. energy: 0.931
local terms energy: -553.120861
where:
bonds (distance) C4'-P energy: -112.358
bonds (distance) P-C4' energy: -102.506
flat angles C4'-P-C4' energy: -107.969
flat angles P-C4'-P energy: -77.899
tors. eta vs tors. theta energy: -152.388
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: 4
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -1825.537861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.537861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.537861 (E_RNA)
where:
Base-Base interactions energy: -1292.525
where: short stacking energy: -519.489
Base-Backbone interact. energy: -2.209
local terms energy: -530.804474
where:
bonds (distance) C4'-P energy: -96.495
bonds (distance) P-C4' energy: -98.859
flat angles C4'-P-C4' energy: -122.949
flat angles P-C4'-P energy: -70.372
tors. eta vs tors. theta energy: -142.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -1711.674618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.674618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.674618 (E_RNA)
where:
Base-Base interactions energy: -1206.492
where: short stacking energy: -476.772
Base-Backbone interact. energy: 0.738
local terms energy: -505.920721
where:
bonds (distance) C4'-P energy: -79.296
bonds (distance) P-C4' energy: -103.249
flat angles C4'-P-C4' energy: -114.450
flat angles P-C4'-P energy: -78.604
tors. eta vs tors. theta energy: -130.321
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: 8
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -1705.714905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.714905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.714905 (E_RNA)
where:
Base-Base interactions energy: -1202.508
where: short stacking energy: -495.368
Base-Backbone interact. energy: -0.182
local terms energy: -503.024646
where:
bonds (distance) C4'-P energy: -80.483
bonds (distance) P-C4' energy: -87.125
flat angles C4'-P-C4' energy: -116.794
flat angles P-C4'-P energy: -77.209
tors. eta vs tors. theta energy: -141.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -1557.657160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1557.657160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1557.657160 (E_RNA)
where:
Base-Base interactions energy: -1089.157
where: short stacking energy: -457.384
Base-Backbone interact. energy: -0.410
local terms energy: -468.089263
where:
bonds (distance) C4'-P energy: -92.149
bonds (distance) P-C4' energy: -82.981
flat angles C4'-P-C4' energy: -104.537
flat angles P-C4'-P energy: -69.271
tors. eta vs tors. theta energy: -119.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -1337.207790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.207790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.207790 (E_RNA)
where:
Base-Base interactions energy: -922.730
where: short stacking energy: -396.081
Base-Backbone interact. energy: -1.150
local terms energy: -413.328260
where:
bonds (distance) C4'-P energy: -80.825
bonds (distance) P-C4' energy: -93.417
flat angles C4'-P-C4' energy: -87.373
flat angles P-C4'-P energy: -52.615
tors. eta vs tors. theta energy: -99.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -1367.020178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.020178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.020178 (E_RNA)
where:
Base-Base interactions energy: -935.770
where: short stacking energy: -416.046
Base-Backbone interact. energy: -1.016
local terms energy: -430.234035
where:
bonds (distance) C4'-P energy: -76.127
bonds (distance) P-C4' energy: -99.271
flat angles C4'-P-C4' energy: -102.501
flat angles P-C4'-P energy: -57.614
tors. eta vs tors. theta energy: -94.721
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: 6
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -1202.045856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1202.045856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1202.045856 (E_RNA)
where:
Base-Base interactions energy: -802.865
where: short stacking energy: -339.643
Base-Backbone interact. energy: 2.860
local terms energy: -402.041119
where:
bonds (distance) C4'-P energy: -88.317
bonds (distance) P-C4' energy: -76.839
flat angles C4'-P-C4' energy: -92.909
flat angles P-C4'-P energy: -71.542
tors. eta vs tors. theta energy: -72.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -776.220158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.220158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.220158 (E_RNA)
where:
Base-Base interactions energy: -460.664
where: short stacking energy: -219.502
Base-Backbone interact. energy: -1.799
local terms energy: -313.757024
where:
bonds (distance) C4'-P energy: -87.655
bonds (distance) P-C4' energy: -92.993
flat angles C4'-P-C4' energy: -72.961
flat angles P-C4'-P energy: -41.845
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -1947.129424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1947.129424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1947.129424 (E_RNA)
where:
Base-Base interactions energy: -1378.742
where: short stacking energy: -567.556
Base-Backbone interact. energy: -3.156
local terms energy: -565.231368
where:
bonds (distance) C4'-P energy: -107.968
bonds (distance) P-C4' energy: -98.527
flat angles C4'-P-C4' energy: -122.899
flat angles P-C4'-P energy: -77.575
tors. eta vs tors. theta energy: -158.262
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: 1
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -1856.381700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1856.381700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1856.381700 (E_RNA)
where:
Base-Base interactions energy: -1321.542
where: short stacking energy: -528.612
Base-Backbone interact. energy: 1.312
local terms energy: -536.151302
where:
bonds (distance) C4'-P energy: -100.640
bonds (distance) P-C4' energy: -95.644
flat angles C4'-P-C4' energy: -115.814
flat angles P-C4'-P energy: -83.613
tors. eta vs tors. theta energy: -140.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -1774.823708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.823708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.823708 (E_RNA)
where:
Base-Base interactions energy: -1268.611
where: short stacking energy: -483.599
Base-Backbone interact. energy: -1.135
local terms energy: -505.077817
where:
bonds (distance) C4'-P energy: -103.559
bonds (distance) P-C4' energy: -85.671
flat angles C4'-P-C4' energy: -113.974
flat angles P-C4'-P energy: -76.602
tors. eta vs tors. theta energy: -125.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -1704.496078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.496078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.496078 (E_RNA)
where:
Base-Base interactions energy: -1209.882
where: short stacking energy: -488.448
Base-Backbone interact. energy: -3.480
local terms energy: -491.134138
where:
bonds (distance) C4'-P energy: -83.285
bonds (distance) P-C4' energy: -94.534
flat angles C4'-P-C4' energy: -118.105
flat angles P-C4'-P energy: -61.192
tors. eta vs tors. theta energy: -134.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -1701.967494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.967494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.967494 (E_RNA)
where:
Base-Base interactions energy: -1207.891
where: short stacking energy: -517.857
Base-Backbone interact. energy: 0.044
local terms energy: -494.120537
where:
bonds (distance) C4'-P energy: -85.830
bonds (distance) P-C4' energy: -85.932
flat angles C4'-P-C4' energy: -98.169
flat angles P-C4'-P energy: -71.480
tors. eta vs tors. theta energy: -152.709
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: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -1537.933946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1537.933946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1537.933946 (E_RNA)
where:
Base-Base interactions energy: -1050.637
where: short stacking energy: -456.932
Base-Backbone interact. energy: 2.787
local terms energy: -490.084380
where:
bonds (distance) C4'-P energy: -90.966
bonds (distance) P-C4' energy: -99.748
flat angles C4'-P-C4' energy: -102.521
flat angles P-C4'-P energy: -67.421
tors. eta vs tors. theta energy: -129.429
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: 7, replica: 9
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -1375.105122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1375.105122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1375.105122 (E_RNA)
where:
Base-Base interactions energy: -953.281
where: short stacking energy: -387.488
Base-Backbone interact. energy: -2.948
local terms energy: -418.876075
where:
bonds (distance) C4'-P energy: -85.543
bonds (distance) P-C4' energy: -73.850
flat angles C4'-P-C4' energy: -104.985
flat angles P-C4'-P energy: -65.267
tors. eta vs tors. theta energy: -89.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -1358.182455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1358.182455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1358.182455 (E_RNA)
where:
Base-Base interactions energy: -924.462
where: short stacking energy: -408.982
Base-Backbone interact. energy: -0.881
local terms energy: -432.840259
where:
bonds (distance) C4'-P energy: -80.893
bonds (distance) P-C4' energy: -84.965
flat angles C4'-P-C4' energy: -95.688
flat angles P-C4'-P energy: -62.048
tors. eta vs tors. theta energy: -109.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -1197.742480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.742480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.742480 (E_RNA)
where:
Base-Base interactions energy: -828.109
where: short stacking energy: -349.135
Base-Backbone interact. energy: 0.541
local terms energy: -370.173954
where:
bonds (distance) C4'-P energy: -75.009
bonds (distance) P-C4' energy: -88.935
flat angles C4'-P-C4' energy: -90.861
flat angles P-C4'-P energy: -53.022
tors. eta vs tors. theta energy: -62.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -761.869190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -761.869190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -761.869190 (E_RNA)
where:
Base-Base interactions energy: -448.012
where: short stacking energy: -232.009
Base-Backbone interact. energy: -1.865
local terms energy: -311.991808
where:
bonds (distance) C4'-P energy: -62.804
bonds (distance) P-C4' energy: -92.857
flat angles C4'-P-C4' energy: -76.853
flat angles P-C4'-P energy: -54.686
tors. eta vs tors. theta energy: -24.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -1956.452697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.452697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.452697 (E_RNA)
where:
Base-Base interactions energy: -1368.846
where: short stacking energy: -570.888
Base-Backbone interact. energy: -1.918
local terms energy: -585.688944
where:
bonds (distance) C4'-P energy: -103.252
bonds (distance) P-C4' energy: -111.130
flat angles C4'-P-C4' energy: -115.655
flat angles P-C4'-P energy: -91.777
tors. eta vs tors. theta energy: -163.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -1879.514269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.514269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.514269 (E_RNA)
where:
Base-Base interactions energy: -1351.049
where: short stacking energy: -526.290
Base-Backbone interact. energy: -0.750
local terms energy: -527.715314
where:
bonds (distance) C4'-P energy: -97.078
bonds (distance) P-C4' energy: -95.198
flat angles C4'-P-C4' energy: -115.783
flat angles P-C4'-P energy: -79.708
tors. eta vs tors. theta energy: -139.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -1753.558341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.558341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.558341 (E_RNA)
where:
Base-Base interactions energy: -1225.832
where: short stacking energy: -526.006
Base-Backbone interact. energy: -1.841
local terms energy: -525.885610
where:
bonds (distance) C4'-P energy: -90.897
bonds (distance) P-C4' energy: -100.462
flat angles C4'-P-C4' energy: -109.152
flat angles P-C4'-P energy: -79.325
tors. eta vs tors. theta energy: -146.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -1721.167642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1721.167642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1721.167642 (E_RNA)
where:
Base-Base interactions energy: -1195.905
where: short stacking energy: -493.358
Base-Backbone interact. energy: -4.010
local terms energy: -521.252086
where:
bonds (distance) C4'-P energy: -90.505
bonds (distance) P-C4' energy: -102.044
flat angles C4'-P-C4' energy: -117.431
flat angles P-C4'-P energy: -71.390
tors. eta vs tors. theta energy: -139.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -1657.213948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.213948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.213948 (E_RNA)
where:
Base-Base interactions energy: -1179.434
where: short stacking energy: -465.291
Base-Backbone interact. energy: -1.571
local terms energy: -476.208852
where:
bonds (distance) C4'-P energy: -78.356
bonds (distance) P-C4' energy: -91.108
flat angles C4'-P-C4' energy: -104.300
flat angles P-C4'-P energy: -68.683
tors. eta vs tors. theta energy: -133.762
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: 387
Temperature: 1.150000
Total energy: -1536.184052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.184052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.184052 (E_RNA)
where:
Base-Base interactions energy: -1075.146
where: short stacking energy: -450.016
Base-Backbone interact. energy: 2.073
local terms energy: -463.111018
where:
bonds (distance) C4'-P energy: -84.453
bonds (distance) P-C4' energy: -92.365
flat angles C4'-P-C4' energy: -97.968
flat angles P-C4'-P energy: -69.354
tors. eta vs tors. theta energy: -118.972
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: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -1386.982603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1386.982603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1386.982603 (E_RNA)
where:
Base-Base interactions energy: -980.347
where: short stacking energy: -429.048
Base-Backbone interact. energy: -2.408
local terms energy: -404.227089
where:
bonds (distance) C4'-P energy: -65.745
bonds (distance) P-C4' energy: -79.479
flat angles C4'-P-C4' energy: -104.253
flat angles P-C4'-P energy: -61.632
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: 5
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -1321.106724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1321.106724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1321.106724 (E_RNA)
where:
Base-Base interactions energy: -901.002
where: short stacking energy: -376.577
Base-Backbone interact. energy: -1.517
local terms energy: -418.587545
where:
bonds (distance) C4'-P energy: -78.419
bonds (distance) P-C4' energy: -98.421
flat angles C4'-P-C4' energy: -97.190
flat angles P-C4'-P energy: -58.507
tors. eta vs tors. theta energy: -86.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -1204.648365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1204.648365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1204.648365 (E_RNA)
where:
Base-Base interactions energy: -813.757
where: short stacking energy: -343.985
Base-Backbone interact. energy: -0.589
local terms energy: -390.302379
where:
bonds (distance) C4'-P energy: -69.015
bonds (distance) P-C4' energy: -108.129
flat angles C4'-P-C4' energy: -90.620
flat angles P-C4'-P energy: -59.021
tors. eta vs tors. theta energy: -63.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -723.351272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -723.351272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -723.351272 (E_RNA)
where:
Base-Base interactions energy: -427.461
where: short stacking energy: -213.844
Base-Backbone interact. energy: -0.312
local terms energy: -295.577387
where:
bonds (distance) C4'-P energy: -73.602
bonds (distance) P-C4' energy: -80.163
flat angles C4'-P-C4' energy: -81.816
flat angles P-C4'-P energy: -45.962
tors. eta vs tors. theta energy: -14.034
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: 388
Temperature: 0.900000
Total energy: -1942.734163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1942.734163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1942.734163 (E_RNA)
where:
Base-Base interactions energy: -1360.286
where: short stacking energy: -557.863
Base-Backbone interact. energy: -1.961
local terms energy: -580.487358
where:
bonds (distance) C4'-P energy: -103.895
bonds (distance) P-C4' energy: -112.385
flat angles C4'-P-C4' energy: -111.359
flat angles P-C4'-P energy: -90.464
tors. eta vs tors. theta energy: -162.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -1857.428612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1857.428612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1857.428612 (E_RNA)
where:
Base-Base interactions energy: -1329.836
where: short stacking energy: -518.449
Base-Backbone interact. energy: 1.285
local terms energy: -528.877633
where:
bonds (distance) C4'-P energy: -95.121
bonds (distance) P-C4' energy: -95.734
flat angles C4'-P-C4' energy: -120.236
flat angles P-C4'-P energy: -82.986
tors. eta vs tors. theta energy: -134.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -1750.523717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.523717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.523717 (E_RNA)
where:
Base-Base interactions energy: -1229.135
where: short stacking energy: -503.009
Base-Backbone interact. energy: -2.571
local terms energy: -518.817761
where:
bonds (distance) C4'-P energy: -93.250
bonds (distance) P-C4' energy: -99.689
flat angles C4'-P-C4' energy: -113.618
flat angles P-C4'-P energy: -69.406
tors. eta vs tors. theta energy: -142.855
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: 8
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -1738.770289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1738.770289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1738.770289 (E_RNA)
where:
Base-Base interactions energy: -1214.436
where: short stacking energy: -499.959
Base-Backbone interact. energy: -1.967
local terms energy: -522.367713
where:
bonds (distance) C4'-P energy: -93.590
bonds (distance) P-C4' energy: -92.430
flat angles C4'-P-C4' energy: -118.591
flat angles P-C4'-P energy: -64.165
tors. eta vs tors. theta energy: -153.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -1628.395398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.395398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.395398 (E_RNA)
where:
Base-Base interactions energy: -1141.816
where: short stacking energy: -466.808
Base-Backbone interact. energy: -2.951
local terms energy: -483.627802
where:
bonds (distance) C4'-P energy: -75.990
bonds (distance) P-C4' energy: -93.730
flat angles C4'-P-C4' energy: -107.301
flat angles P-C4'-P energy: -81.104
tors. eta vs tors. theta energy: -125.503
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: 6, replica: 7
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -1542.910906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1542.910906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1542.910906 (E_RNA)
where:
Base-Base interactions energy: -1056.104
where: short stacking energy: -440.912
Base-Backbone interact. energy: 7.539
local terms energy: -494.345331
where:
bonds (distance) C4'-P energy: -91.373
bonds (distance) P-C4' energy: -98.927
flat angles C4'-P-C4' energy: -102.177
flat angles P-C4'-P energy: -80.114
tors. eta vs tors. theta energy: -121.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -1363.083776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1363.083776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1363.083776 (E_RNA)
where:
Base-Base interactions energy: -926.661
where: short stacking energy: -389.503
Base-Backbone interact. energy: 0.010
local terms energy: -436.432560
where:
bonds (distance) C4'-P energy: -85.836
bonds (distance) P-C4' energy: -96.047
flat angles C4'-P-C4' energy: -104.297
flat angles P-C4'-P energy: -64.024
tors. eta vs tors. theta energy: -86.228
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: 5
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -1327.799632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1327.799632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1327.799632 (E_RNA)
where:
Base-Base interactions energy: -901.566
where: short stacking energy: -383.516
Base-Backbone interact. energy: -2.982
local terms energy: -423.252544
where:
bonds (distance) C4'-P energy: -78.279
bonds (distance) P-C4' energy: -89.276
flat angles C4'-P-C4' energy: -101.345
flat angles P-C4'-P energy: -60.437
tors. eta vs tors. theta energy: -93.916
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: 6
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -1178.994537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1178.994537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1178.994537 (E_RNA)
where:
Base-Base interactions energy: -781.617
where: short stacking energy: -345.591
Base-Backbone interact. energy: -1.065
local terms energy: -396.312754
where:
bonds (distance) C4'-P energy: -76.939
bonds (distance) P-C4' energy: -87.074
flat angles C4'-P-C4' energy: -96.895
flat angles P-C4'-P energy: -66.835
tors. eta vs tors. theta energy: -68.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -700.850304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -700.850304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -700.850304 (E_RNA)
where:
Base-Base interactions energy: -407.506
where: short stacking energy: -217.138
Base-Backbone interact. energy: 5.891
local terms energy: -299.235612
where:
bonds (distance) C4'-P energy: -71.324
bonds (distance) P-C4' energy: -96.195
flat angles C4'-P-C4' energy: -60.134
flat angles P-C4'-P energy: -56.598
tors. eta vs tors. theta energy: -14.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -1939.013862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.013862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.013862 (E_RNA)
where:
Base-Base interactions energy: -1375.136
where: short stacking energy: -558.770
Base-Backbone interact. energy: -1.816
local terms energy: -562.062582
where:
bonds (distance) C4'-P energy: -95.763
bonds (distance) P-C4' energy: -111.130
flat angles C4'-P-C4' energy: -121.718
flat angles P-C4'-P energy: -77.948
tors. eta vs tors. theta energy: -155.503
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: 2, replica: 1
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -1894.390454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.390454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.390454 (E_RNA)
where:
Base-Base interactions energy: -1351.651
where: short stacking energy: -521.613
Base-Backbone interact. energy: -2.520
local terms energy: -540.218779
where:
bonds (distance) C4'-P energy: -96.952
bonds (distance) P-C4' energy: -101.637
flat angles C4'-P-C4' energy: -120.387
flat angles P-C4'-P energy: -78.732
tors. eta vs tors. theta energy: -142.510
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: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -1772.504658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.504658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.504658 (E_RNA)
where:
Base-Base interactions energy: -1237.412
where: short stacking energy: -509.622
Base-Backbone interact. energy: 0.152
local terms energy: -535.244988
where:
bonds (distance) C4'-P energy: -107.063
bonds (distance) P-C4' energy: -86.028
flat angles C4'-P-C4' energy: -118.844
flat angles P-C4'-P energy: -83.486
tors. eta vs tors. theta energy: -139.824
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: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -1669.305551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.305551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.305551 (E_RNA)
where:
Base-Base interactions energy: -1169.545
where: short stacking energy: -494.139
Base-Backbone interact. energy: -1.059
local terms energy: -498.701559
where:
bonds (distance) C4'-P energy: -100.730
bonds (distance) P-C4' energy: -89.600
flat angles C4'-P-C4' energy: -117.940
flat angles P-C4'-P energy: -71.627
tors. eta vs tors. theta energy: -118.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -1715.263649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.263649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.263649 (E_RNA)
where:
Base-Base interactions energy: -1221.219
where: short stacking energy: -492.205
Base-Backbone interact. energy: 0.706
local terms energy: -494.750106
where:
bonds (distance) C4'-P energy: -83.404
bonds (distance) P-C4' energy: -86.520
flat angles C4'-P-C4' energy: -105.303
flat angles P-C4'-P energy: -81.535
tors. eta vs tors. theta energy: -137.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -1530.306058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.306058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.306058 (E_RNA)
where:
Base-Base interactions energy: -1069.555
where: short stacking energy: -439.780
Base-Backbone interact. energy: 1.306
local terms energy: -462.056930
where:
bonds (distance) C4'-P energy: -78.551
bonds (distance) P-C4' energy: -87.773
flat angles C4'-P-C4' energy: -106.488
flat angles P-C4'-P energy: -73.260
tors. eta vs tors. theta energy: -115.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -1425.795772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1425.795772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1425.795772 (E_RNA)
where:
Base-Base interactions energy: -980.300
where: short stacking energy: -422.395
Base-Backbone interact. energy: -1.716
local terms energy: -443.779373
where:
bonds (distance) C4'-P energy: -98.152
bonds (distance) P-C4' energy: -82.864
flat angles C4'-P-C4' energy: -91.059
flat angles P-C4'-P energy: -64.826
tors. eta vs tors. theta energy: -106.878
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: 5
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -1367.342794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.342794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.342794 (E_RNA)
where:
Base-Base interactions energy: -946.174
where: short stacking energy: -380.110
Base-Backbone interact. energy: -2.508
local terms energy: -418.660686
where:
bonds (distance) C4'-P energy: -84.909
bonds (distance) P-C4' energy: -84.636
flat angles C4'-P-C4' energy: -85.388
flat angles P-C4'-P energy: -68.473
tors. eta vs tors. theta energy: -95.256
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: 6
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -1103.851165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.851165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.851165 (E_RNA)
where:
Base-Base interactions energy: -745.605
where: short stacking energy: -317.041
Base-Backbone interact. energy: 4.078
local terms energy: -362.323693
where:
bonds (distance) C4'-P energy: -77.358
bonds (distance) P-C4' energy: -77.331
flat angles C4'-P-C4' energy: -87.513
flat angles P-C4'-P energy: -58.856
tors. eta vs tors. theta energy: -61.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -657.901626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -657.901626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -657.901626 (E_RNA)
where:
Base-Base interactions energy: -348.203
where: short stacking energy: -177.214
Base-Backbone interact. energy: -1.822
local terms energy: -307.876649
where:
bonds (distance) C4'-P energy: -81.351
bonds (distance) P-C4' energy: -104.123
flat angles C4'-P-C4' energy: -85.579
flat angles P-C4'-P energy: -27.637
tors. eta vs tors. theta energy: -9.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -1977.627749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.627749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.627749 (E_RNA)
where:
Base-Base interactions energy: -1400.396
where: short stacking energy: -594.301
Base-Backbone interact. energy: -3.607
local terms energy: -573.624810
where:
bonds (distance) C4'-P energy: -104.787
bonds (distance) P-C4' energy: -100.722
flat angles C4'-P-C4' energy: -121.046
flat angles P-C4'-P energy: -82.432
tors. eta vs tors. theta energy: -164.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -1876.884771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.884771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.884771 (E_RNA)
where:
Base-Base interactions energy: -1347.013
where: short stacking energy: -525.230
Base-Backbone interact. energy: 3.998
local terms energy: -533.869248
where:
bonds (distance) C4'-P energy: -101.200
bonds (distance) P-C4' energy: -103.147
flat angles C4'-P-C4' energy: -116.165
flat angles P-C4'-P energy: -68.934
tors. eta vs tors. theta energy: -144.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -1741.916155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.916155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.916155 (E_RNA)
where:
Base-Base interactions energy: -1223.362
where: short stacking energy: -480.747
Base-Backbone interact. energy: -1.730
local terms energy: -516.824815
where:
bonds (distance) C4'-P energy: -101.740
bonds (distance) P-C4' energy: -104.738
flat angles C4'-P-C4' energy: -110.849
flat angles P-C4'-P energy: -69.029
tors. eta vs tors. theta energy: -130.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -1716.873400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.873400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.873400 (E_RNA)
where:
Base-Base interactions energy: -1213.813
where: short stacking energy: -478.996
Base-Backbone interact. energy: 3.026
local terms energy: -506.086181
where:
bonds (distance) C4'-P energy: -100.228
bonds (distance) P-C4' energy: -90.014
flat angles C4'-P-C4' energy: -111.551
flat angles P-C4'-P energy: -66.058
tors. eta vs tors. theta energy: -138.236
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: 8
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -1667.692662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.692662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.692662 (E_RNA)
where:
Base-Base interactions energy: -1189.441
where: short stacking energy: -479.747
Base-Backbone interact. energy: 0.165
local terms energy: -478.416731
where:
bonds (distance) C4'-P energy: -56.445
bonds (distance) P-C4' energy: -95.838
flat angles C4'-P-C4' energy: -114.634
flat angles P-C4'-P energy: -82.881
tors. eta vs tors. theta energy: -128.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -1496.130644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1496.130644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1496.130644 (E_RNA)
where:
Base-Base interactions energy: -1024.493
where: short stacking energy: -431.725
Base-Backbone interact. energy: -1.451
local terms energy: -470.186501
where:
bonds (distance) C4'-P energy: -93.040
bonds (distance) P-C4' energy: -91.054
flat angles C4'-P-C4' energy: -108.463
flat angles P-C4'-P energy: -65.304
tors. eta vs tors. theta energy: -112.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -1399.132752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.132752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.132752 (E_RNA)
where:
Base-Base interactions energy: -995.827
where: short stacking energy: -370.422
Base-Backbone interact. energy: 2.234
local terms energy: -405.539527
where:
bonds (distance) C4'-P energy: -72.730
bonds (distance) P-C4' energy: -90.190
flat angles C4'-P-C4' energy: -96.178
flat angles P-C4'-P energy: -55.795
tors. eta vs tors. theta energy: -90.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -1300.328457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1300.328457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1300.328457 (E_RNA)
where:
Base-Base interactions energy: -891.042
where: short stacking energy: -381.202
Base-Backbone interact. energy: 1.832
local terms energy: -411.118494
where:
bonds (distance) C4'-P energy: -91.382
bonds (distance) P-C4' energy: -87.449
flat angles C4'-P-C4' energy: -87.123
flat angles P-C4'-P energy: -66.552
tors. eta vs tors. theta energy: -78.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -1219.090401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.090401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.090401 (E_RNA)
where:
Base-Base interactions energy: -830.358
where: short stacking energy: -362.072
Base-Backbone interact. energy: -0.586
local terms energy: -388.146673
where:
bonds (distance) C4'-P energy: -66.456
bonds (distance) P-C4' energy: -109.022
flat angles C4'-P-C4' energy: -72.994
flat angles P-C4'-P energy: -48.295
tors. eta vs tors. theta energy: -91.379
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: 10
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -702.035253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.035253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.035253 (E_RNA)
where:
Base-Base interactions energy: -424.635
where: short stacking energy: -200.931
Base-Backbone interact. energy: -0.478
local terms energy: -276.922907
where:
bonds (distance) C4'-P energy: -81.023
bonds (distance) P-C4' energy: -88.731
flat angles C4'-P-C4' energy: -67.017
flat angles P-C4'-P energy: -27.370
tors. eta vs tors. theta energy: -12.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -1954.213349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1954.213349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1954.213349 (E_RNA)
where:
Base-Base interactions energy: -1369.488
where: short stacking energy: -573.696
Base-Backbone interact. energy: -0.947
local terms energy: -583.778899
where:
bonds (distance) C4'-P energy: -95.660
bonds (distance) P-C4' energy: -109.531
flat angles C4'-P-C4' energy: -119.785
flat angles P-C4'-P energy: -88.729
tors. eta vs tors. theta energy: -170.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -1854.686957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.686957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.686957 (E_RNA)
where:
Base-Base interactions energy: -1334.326
where: short stacking energy: -517.397
Base-Backbone interact. energy: 6.286
local terms energy: -526.646384
where:
bonds (distance) C4'-P energy: -88.846
bonds (distance) P-C4' energy: -108.579
flat angles C4'-P-C4' energy: -115.173
flat angles P-C4'-P energy: -79.059
tors. eta vs tors. theta energy: -134.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -1770.886120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.886120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.886120 (E_RNA)
where:
Base-Base interactions energy: -1249.597
where: short stacking energy: -517.459
Base-Backbone interact. energy: -6.494
local terms energy: -514.794518
where:
bonds (distance) C4'-P energy: -88.107
bonds (distance) P-C4' energy: -100.616
flat angles C4'-P-C4' energy: -111.537
flat angles P-C4'-P energy: -74.927
tors. eta vs tors. theta energy: -139.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -1671.300584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.300584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.300584 (E_RNA)
where:
Base-Base interactions energy: -1163.825
where: short stacking energy: -458.804
Base-Backbone interact. energy: -2.579
local terms energy: -504.896469
where:
bonds (distance) C4'-P energy: -102.347
bonds (distance) P-C4' energy: -100.905
flat angles C4'-P-C4' energy: -111.532
flat angles P-C4'-P energy: -72.411
tors. eta vs tors. theta energy: -117.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -1667.937855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.937855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.937855 (E_RNA)
where:
Base-Base interactions energy: -1190.145
where: short stacking energy: -487.850
Base-Backbone interact. energy: -0.020
local terms energy: -477.772061
where:
bonds (distance) C4'-P energy: -84.038
bonds (distance) P-C4' energy: -68.297
flat angles C4'-P-C4' energy: -114.807
flat angles P-C4'-P energy: -70.714
tors. eta vs tors. theta energy: -139.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -1477.183195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.183195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.183195 (E_RNA)
where:
Base-Base interactions energy: -1012.259
where: short stacking energy: -432.428
Base-Backbone interact. energy: 4.428
local terms energy: -469.352200
where:
bonds (distance) C4'-P energy: -90.041
bonds (distance) P-C4' energy: -91.219
flat angles C4'-P-C4' energy: -109.984
flat angles P-C4'-P energy: -57.143
tors. eta vs tors. theta energy: -120.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -1372.463035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.463035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.463035 (E_RNA)
where:
Base-Base interactions energy: -954.747
where: short stacking energy: -388.357
Base-Backbone interact. energy: -0.929
local terms energy: -416.786708
where:
bonds (distance) C4'-P energy: -82.029
bonds (distance) P-C4' energy: -85.262
flat angles C4'-P-C4' energy: -99.952
flat angles P-C4'-P energy: -56.855
tors. eta vs tors. theta energy: -92.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -1268.755312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.755312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.755312 (E_RNA)
where:
Base-Base interactions energy: -882.083
where: short stacking energy: -380.843
Base-Backbone interact. energy: 6.250
local terms energy: -392.921740
where:
bonds (distance) C4'-P energy: -87.808
bonds (distance) P-C4' energy: -86.356
flat angles C4'-P-C4' energy: -78.649
flat angles P-C4'-P energy: -52.124
tors. eta vs tors. theta energy: -87.985
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: 5
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -1298.005076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1298.005076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1298.005076 (E_RNA)
where:
Base-Base interactions energy: -901.651
where: short stacking energy: -388.828
Base-Backbone interact. energy: -3.746
local terms energy: -392.608624
where:
bonds (distance) C4'-P energy: -74.200
bonds (distance) P-C4' energy: -80.653
flat angles C4'-P-C4' energy: -87.992
flat angles P-C4'-P energy: -61.324
tors. eta vs tors. theta energy: -88.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -751.542697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -751.542697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -751.542697 (E_RNA)
where:
Base-Base interactions energy: -443.890
where: short stacking energy: -229.226
Base-Backbone interact. energy: -0.865
local terms energy: -306.788374
where:
bonds (distance) C4'-P energy: -89.117
bonds (distance) P-C4' energy: -99.401
flat angles C4'-P-C4' energy: -65.348
flat angles P-C4'-P energy: -26.554
tors. eta vs tors. theta energy: -26.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -1938.394537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.394537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.394537 (E_RNA)
where:
Base-Base interactions energy: -1348.048
where: short stacking energy: -560.952
Base-Backbone interact. energy: -2.158
local terms energy: -588.188320
where:
bonds (distance) C4'-P energy: -101.048
bonds (distance) P-C4' energy: -104.103
flat angles C4'-P-C4' energy: -126.449
flat angles P-C4'-P energy: -91.048
tors. eta vs tors. theta energy: -165.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -1876.853414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.853414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.853414 (E_RNA)
where:
Base-Base interactions energy: -1359.277
where: short stacking energy: -524.439
Base-Backbone interact. energy: 2.841
local terms energy: -520.417280
where:
bonds (distance) C4'-P energy: -87.688
bonds (distance) P-C4' energy: -97.587
flat angles C4'-P-C4' energy: -112.138
flat angles P-C4'-P energy: -74.755
tors. eta vs tors. theta energy: -148.249
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: 3
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -1769.527857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.527857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.527857 (E_RNA)
where:
Base-Base interactions energy: -1224.177
where: short stacking energy: -512.463
Base-Backbone interact. energy: -1.770
local terms energy: -543.580955
where:
bonds (distance) C4'-P energy: -96.827
bonds (distance) P-C4' energy: -100.668
flat angles C4'-P-C4' energy: -114.472
flat angles P-C4'-P energy: -87.918
tors. eta vs tors. theta energy: -143.696
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: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -1719.724636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1719.724636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1719.724636 (E_RNA)
where:
Base-Base interactions energy: -1202.051
where: short stacking energy: -487.842
Base-Backbone interact. energy: -1.509
local terms energy: -516.164113
where:
bonds (distance) C4'-P energy: -105.208
bonds (distance) P-C4' energy: -88.279
flat angles C4'-P-C4' energy: -106.308
flat angles P-C4'-P energy: -79.943
tors. eta vs tors. theta energy: -136.426
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: 8
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -1670.596443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.596443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.596443 (E_RNA)
where:
Base-Base interactions energy: -1180.258
where: short stacking energy: -491.736
Base-Backbone interact. energy: 0.239
local terms energy: -490.577725
where:
bonds (distance) C4'-P energy: -92.428
bonds (distance) P-C4' energy: -87.189
flat angles C4'-P-C4' energy: -106.789
flat angles P-C4'-P energy: -74.889
tors. eta vs tors. theta energy: -129.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -1495.036385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.036385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.036385 (E_RNA)
where:
Base-Base interactions energy: -1045.955
where: short stacking energy: -431.689
Base-Backbone interact. energy: -0.921
local terms energy: -448.160610
where:
bonds (distance) C4'-P energy: -85.288
bonds (distance) P-C4' energy: -89.494
flat angles C4'-P-C4' energy: -99.456
flat angles P-C4'-P energy: -66.065
tors. eta vs tors. theta energy: -107.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -1421.493847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.493847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.493847 (E_RNA)
where:
Base-Base interactions energy: -960.397
where: short stacking energy: -402.252
Base-Backbone interact. energy: -1.499
local terms energy: -459.597799
where:
bonds (distance) C4'-P energy: -99.604
bonds (distance) P-C4' energy: -88.597
flat angles C4'-P-C4' energy: -103.607
flat angles P-C4'-P energy: -67.034
tors. eta vs tors. theta energy: -100.755
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: 8, replica: 6
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -1262.552317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1262.552317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1262.552317 (E_RNA)
where:
Base-Base interactions energy: -854.562
where: short stacking energy: -370.033
Base-Backbone interact. energy: -1.063
local terms energy: -406.927546
where:
bonds (distance) C4'-P energy: -70.795
bonds (distance) P-C4' energy: -82.970
flat angles C4'-P-C4' energy: -102.351
flat angles P-C4'-P energy: -65.615
tors. eta vs tors. theta energy: -85.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -1293.333671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1293.333671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1293.333671 (E_RNA)
where:
Base-Base interactions energy: -904.633
where: short stacking energy: -348.953
Base-Backbone interact. energy: -0.831
local terms energy: -387.869357
where:
bonds (distance) C4'-P energy: -70.349
bonds (distance) P-C4' energy: -81.474
flat angles C4'-P-C4' energy: -101.662
flat angles P-C4'-P energy: -63.989
tors. eta vs tors. theta energy: -70.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -701.262246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -701.262246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -701.262246 (E_RNA)
where:
Base-Base interactions energy: -390.624
where: short stacking energy: -205.939
Base-Backbone interact. energy: 0.343
local terms energy: -310.981309
where:
bonds (distance) C4'-P energy: -83.745
bonds (distance) P-C4' energy: -92.243
flat angles C4'-P-C4' energy: -75.480
flat angles P-C4'-P energy: -37.274
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -1960.676547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.676547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.676547 (E_RNA)
where:
Base-Base interactions energy: -1401.535
where: short stacking energy: -569.453
Base-Backbone interact. energy: -2.636
local terms energy: -556.505639
where:
bonds (distance) C4'-P energy: -96.422
bonds (distance) P-C4' energy: -90.401
flat angles C4'-P-C4' energy: -122.592
flat angles P-C4'-P energy: -83.070
tors. eta vs tors. theta energy: -164.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -1909.204676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.204676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.204676 (E_RNA)
where:
Base-Base interactions energy: -1357.033
where: short stacking energy: -523.717
Base-Backbone interact. energy: -1.272
local terms energy: -550.899547
where:
bonds (distance) C4'-P energy: -105.583
bonds (distance) P-C4' energy: -102.144
flat angles C4'-P-C4' energy: -114.085
flat angles P-C4'-P energy: -77.303
tors. eta vs tors. theta energy: -151.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -1793.895894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.895894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.895894 (E_RNA)
where:
Base-Base interactions energy: -1267.124
where: short stacking energy: -522.249
Base-Backbone interact. energy: -1.488
local terms energy: -525.283284
where:
bonds (distance) C4'-P energy: -88.222
bonds (distance) P-C4' energy: -112.366
flat angles C4'-P-C4' energy: -108.096
flat angles P-C4'-P energy: -76.502
tors. eta vs tors. theta energy: -140.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -1679.119078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.119078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.119078 (E_RNA)
where:
Base-Base interactions energy: -1183.361
where: short stacking energy: -490.204
Base-Backbone interact. energy: -1.573
local terms energy: -494.184586
where:
bonds (distance) C4'-P energy: -91.066
bonds (distance) P-C4' energy: -97.224
flat angles C4'-P-C4' energy: -102.897
flat angles P-C4'-P energy: -81.055
tors. eta vs tors. theta energy: -121.942
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: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -1643.288174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.288174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.288174 (E_RNA)
where:
Base-Base interactions energy: -1166.145
where: short stacking energy: -498.545
Base-Backbone interact. energy: -0.606
local terms energy: -476.537337
where:
bonds (distance) C4'-P energy: -80.181
bonds (distance) P-C4' energy: -95.789
flat angles C4'-P-C4' energy: -102.265
flat angles P-C4'-P energy: -67.753
tors. eta vs tors. theta energy: -130.549
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: 9
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -1405.192561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.192561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.192561 (E_RNA)
where:
Base-Base interactions energy: -941.345
where: short stacking energy: -409.103
Base-Backbone interact. energy: 0.557
local terms energy: -464.404755
where:
bonds (distance) C4'-P energy: -92.172
bonds (distance) P-C4' energy: -89.462
flat angles C4'-P-C4' energy: -96.728
flat angles P-C4'-P energy: -67.309
tors. eta vs tors. theta energy: -118.733
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: 393
Temperature: 1.200000
Total energy: -1409.334156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1409.334156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1409.334156 (E_RNA)
where:
Base-Base interactions energy: -947.602
where: short stacking energy: -421.719
Base-Backbone interact. energy: 1.260
local terms energy: -462.992277
where:
bonds (distance) C4'-P energy: -92.067
bonds (distance) P-C4' energy: -96.438
flat angles C4'-P-C4' energy: -95.659
flat angles P-C4'-P energy: -67.513
tors. eta vs tors. theta energy: -111.316
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: 5
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -1305.274343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1305.274343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1305.274343 (E_RNA)
where:
Base-Base interactions energy: -916.423
where: short stacking energy: -393.533
Base-Backbone interact. energy: 1.734
local terms energy: -390.584970
where:
bonds (distance) C4'-P energy: -70.042
bonds (distance) P-C4' energy: -87.150
flat angles C4'-P-C4' energy: -96.848
flat angles P-C4'-P energy: -58.465
tors. eta vs tors. theta energy: -78.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -1292.883408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.883408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.883408 (E_RNA)
where:
Base-Base interactions energy: -893.973
where: short stacking energy: -378.759
Base-Backbone interact. energy: -0.734
local terms energy: -398.176127
where:
bonds (distance) C4'-P energy: -68.692
bonds (distance) P-C4' energy: -97.445
flat angles C4'-P-C4' energy: -85.153
flat angles P-C4'-P energy: -48.768
tors. eta vs tors. theta energy: -98.119
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: 10
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -699.465653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.465653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.465653 (E_RNA)
where:
Base-Base interactions energy: -430.186
where: short stacking energy: -213.865
Base-Backbone interact. energy: -3.757
local terms energy: -265.522761
where:
bonds (distance) C4'-P energy: -80.501
bonds (distance) P-C4' energy: -85.193
flat angles C4'-P-C4' energy: -60.994
flat angles P-C4'-P energy: -43.486
tors. eta vs tors. theta energy: 4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -1980.013820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.013820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.013820 (E_RNA)
where:
Base-Base interactions energy: -1401.119
where: short stacking energy: -589.050
Base-Backbone interact. energy: 1.039
local terms energy: -579.934392
where:
bonds (distance) C4'-P energy: -97.587
bonds (distance) P-C4' energy: -106.579
flat angles C4'-P-C4' energy: -114.824
flat angles P-C4'-P energy: -90.167
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: 1
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -1896.442741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.442741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.442741 (E_RNA)
where:
Base-Base interactions energy: -1376.506
where: short stacking energy: -514.485
Base-Backbone interact. energy: -0.641
local terms energy: -519.295988
where:
bonds (distance) C4'-P energy: -98.813
bonds (distance) P-C4' energy: -108.351
flat angles C4'-P-C4' energy: -100.025
flat angles P-C4'-P energy: -74.471
tors. eta vs tors. theta energy: -137.636
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: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -1772.642406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.642406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.642406 (E_RNA)
where:
Base-Base interactions energy: -1254.141
where: short stacking energy: -530.750
Base-Backbone interact. energy: -0.348
local terms energy: -518.153995
where:
bonds (distance) C4'-P energy: -88.033
bonds (distance) P-C4' energy: -100.921
flat angles C4'-P-C4' energy: -117.494
flat angles P-C4'-P energy: -82.002
tors. eta vs tors. theta energy: -129.704
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: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -1672.607140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.607140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.607140 (E_RNA)
where:
Base-Base interactions energy: -1176.937
where: short stacking energy: -494.590
Base-Backbone interact. energy: -0.633
local terms energy: -495.036625
where:
bonds (distance) C4'-P energy: -85.097
bonds (distance) P-C4' energy: -101.610
flat angles C4'-P-C4' energy: -103.466
flat angles P-C4'-P energy: -71.671
tors. eta vs tors. theta energy: -133.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -1623.918838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.918838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.918838 (E_RNA)
where:
Base-Base interactions energy: -1120.327
where: short stacking energy: -471.541
Base-Backbone interact. energy: -3.573
local terms energy: -500.018567
where:
bonds (distance) C4'-P energy: -97.155
bonds (distance) P-C4' energy: -97.453
flat angles C4'-P-C4' energy: -100.641
flat angles P-C4'-P energy: -76.772
tors. eta vs tors. theta energy: -127.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -1414.577490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.577490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.577490 (E_RNA)
where:
Base-Base interactions energy: -981.619
where: short stacking energy: -424.655
Base-Backbone interact. energy: -2.152
local terms energy: -430.806852
where:
bonds (distance) C4'-P energy: -93.532
bonds (distance) P-C4' energy: -84.181
flat angles C4'-P-C4' energy: -93.513
flat angles P-C4'-P energy: -63.500
tors. eta vs tors. theta energy: -96.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -1459.043284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1459.043284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1459.043284 (E_RNA)
where:
Base-Base interactions energy: -1015.109
where: short stacking energy: -433.332
Base-Backbone interact. energy: 1.993
local terms energy: -445.927554
where:
bonds (distance) C4'-P energy: -87.395
bonds (distance) P-C4' energy: -88.208
flat angles C4'-P-C4' energy: -87.395
flat angles P-C4'-P energy: -68.938
tors. eta vs tors. theta energy: -113.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -1334.936159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.936159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.936159 (E_RNA)
where:
Base-Base interactions energy: -924.150
where: short stacking energy: -382.888
Base-Backbone interact. energy: 0.891
local terms energy: -411.677768
where:
bonds (distance) C4'-P energy: -75.064
bonds (distance) P-C4' energy: -92.005
flat angles C4'-P-C4' energy: -93.967
flat angles P-C4'-P energy: -62.440
tors. eta vs tors. theta energy: -88.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -1234.714226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.714226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.714226 (E_RNA)
where:
Base-Base interactions energy: -838.449
where: short stacking energy: -369.315
Base-Backbone interact. energy: -2.050
local terms energy: -394.216007
where:
bonds (distance) C4'-P energy: -82.087
bonds (distance) P-C4' energy: -76.882
flat angles C4'-P-C4' energy: -104.401
flat angles P-C4'-P energy: -54.064
tors. eta vs tors. theta energy: -76.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -667.581288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -667.581288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -667.581288 (E_RNA)
where:
Base-Base interactions energy: -374.516
where: short stacking energy: -216.954
Base-Backbone interact. energy: 2.592
local terms energy: -295.656667
where:
bonds (distance) C4'-P energy: -57.227
bonds (distance) P-C4' energy: -77.444
flat angles C4'-P-C4' energy: -95.812
flat angles P-C4'-P energy: -42.052
tors. eta vs tors. theta energy: -23.121
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: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -1980.597554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.597554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.597554 (E_RNA)
where:
Base-Base interactions energy: -1400.839
where: short stacking energy: -579.546
Base-Backbone interact. energy: -2.058
local terms energy: -577.699767
where:
bonds (distance) C4'-P energy: -103.079
bonds (distance) P-C4' energy: -113.367
flat angles C4'-P-C4' energy: -124.033
flat angles P-C4'-P energy: -76.280
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: 2, replica: 1
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -1876.131355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1876.131355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1876.131355 (E_RNA)
where:
Base-Base interactions energy: -1382.096
where: short stacking energy: -537.158
Base-Backbone interact. energy: 4.076
local terms energy: -498.111739
where:
bonds (distance) C4'-P energy: -84.314
bonds (distance) P-C4' energy: -88.408
flat angles C4'-P-C4' energy: -100.503
flat angles P-C4'-P energy: -86.912
tors. eta vs tors. theta energy: -137.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -1771.798611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.798611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.798611 (E_RNA)
where:
Base-Base interactions energy: -1227.386
where: short stacking energy: -514.584
Base-Backbone interact. energy: -2.051
local terms energy: -542.361000
where:
bonds (distance) C4'-P energy: -106.428
bonds (distance) P-C4' energy: -106.431
flat angles C4'-P-C4' energy: -112.170
flat angles P-C4'-P energy: -78.522
tors. eta vs tors. theta energy: -138.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -1727.616832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.616832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.616832 (E_RNA)
where:
Base-Base interactions energy: -1255.488
where: short stacking energy: -501.214
Base-Backbone interact. energy: -2.073
local terms energy: -470.056119
where:
bonds (distance) C4'-P energy: -80.015
bonds (distance) P-C4' energy: -91.971
flat angles C4'-P-C4' energy: -110.986
flat angles P-C4'-P energy: -56.193
tors. eta vs tors. theta energy: -130.891
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: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -1642.159730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.159730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.159730 (E_RNA)
where:
Base-Base interactions energy: -1159.354
where: short stacking energy: -496.173
Base-Backbone interact. energy: -2.858
local terms energy: -479.947767
where:
bonds (distance) C4'-P energy: -81.003
bonds (distance) P-C4' energy: -82.545
flat angles C4'-P-C4' energy: -109.320
flat angles P-C4'-P energy: -74.078
tors. eta vs tors. theta energy: -133.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -1482.292617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.292617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.292617 (E_RNA)
where:
Base-Base interactions energy: -1032.216
where: short stacking energy: -443.479
Base-Backbone interact. energy: -3.236
local terms energy: -446.840461
where:
bonds (distance) C4'-P energy: -95.002
bonds (distance) P-C4' energy: -88.124
flat angles C4'-P-C4' energy: -100.909
flat angles P-C4'-P energy: -56.876
tors. eta vs tors. theta energy: -105.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -1389.948867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1389.948867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1389.948867 (E_RNA)
where:
Base-Base interactions energy: -951.547
where: short stacking energy: -389.898
Base-Backbone interact. energy: -1.851
local terms energy: -436.551121
where:
bonds (distance) C4'-P energy: -79.409
bonds (distance) P-C4' energy: -95.086
flat angles C4'-P-C4' energy: -107.361
flat angles P-C4'-P energy: -65.352
tors. eta vs tors. theta energy: -89.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -1316.998986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.998986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.998986 (E_RNA)
where:
Base-Base interactions energy: -908.734
where: short stacking energy: -388.681
Base-Backbone interact. energy: -2.861
local terms energy: -405.403441
where:
bonds (distance) C4'-P energy: -79.562
bonds (distance) P-C4' energy: -94.395
flat angles C4'-P-C4' energy: -80.846
flat angles P-C4'-P energy: -58.623
tors. eta vs tors. theta energy: -91.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -1288.389704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.389704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.389704 (E_RNA)
where:
Base-Base interactions energy: -892.284
where: short stacking energy: -362.061
Base-Backbone interact. energy: -2.308
local terms energy: -393.797964
where:
bonds (distance) C4'-P energy: -82.939
bonds (distance) P-C4' energy: -92.773
flat angles C4'-P-C4' energy: -90.694
flat angles P-C4'-P energy: -41.602
tors. eta vs tors. theta energy: -85.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -683.664261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -683.664261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -683.664261 (E_RNA)
where:
Base-Base interactions energy: -404.952
where: short stacking energy: -220.797
Base-Backbone interact. energy: 2.741
local terms energy: -281.452930
where:
bonds (distance) C4'-P energy: -81.490
bonds (distance) P-C4' energy: -61.435
flat angles C4'-P-C4' energy: -78.612
flat angles P-C4'-P energy: -34.361
tors. eta vs tors. theta energy: -25.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -1959.673193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1959.673193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1959.673193 (E_RNA)
where:
Base-Base interactions energy: -1393.757
where: short stacking energy: -567.623
Base-Backbone interact. energy: -0.186
local terms energy: -565.730266
where:
bonds (distance) C4'-P energy: -102.626
bonds (distance) P-C4' energy: -90.627
flat angles C4'-P-C4' energy: -119.980
flat angles P-C4'-P energy: -87.939
tors. eta vs tors. theta energy: -164.557
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: 1
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -1867.170179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.170179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.170179 (E_RNA)
where:
Base-Base interactions energy: -1353.623
where: short stacking energy: -525.917
Base-Backbone interact. energy: -0.750
local terms energy: -512.797232
where:
bonds (distance) C4'-P energy: -81.201
bonds (distance) P-C4' energy: -106.603
flat angles C4'-P-C4' energy: -107.371
flat angles P-C4'-P energy: -85.150
tors. eta vs tors. theta energy: -132.472
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: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -1798.085586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.085586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.085586 (E_RNA)
where:
Base-Base interactions energy: -1247.990
where: short stacking energy: -510.771
Base-Backbone interact. energy: 0.700
local terms energy: -550.795709
where:
bonds (distance) C4'-P energy: -102.136
bonds (distance) P-C4' energy: -116.783
flat angles C4'-P-C4' energy: -108.159
flat angles P-C4'-P energy: -73.988
tors. eta vs tors. theta energy: -149.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -1704.751438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.751438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.751438 (E_RNA)
where:
Base-Base interactions energy: -1217.090
where: short stacking energy: -491.764
Base-Backbone interact. energy: 1.450
local terms energy: -489.111455
where:
bonds (distance) C4'-P energy: -99.969
bonds (distance) P-C4' energy: -83.030
flat angles C4'-P-C4' energy: -103.785
flat angles P-C4'-P energy: -72.068
tors. eta vs tors. theta energy: -130.259
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: 8
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -1666.944624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1666.944624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1666.944624 (E_RNA)
where:
Base-Base interactions energy: -1171.146
where: short stacking energy: -491.305
Base-Backbone interact. energy: -3.069
local terms energy: -492.729797
where:
bonds (distance) C4'-P energy: -88.633
bonds (distance) P-C4' energy: -98.752
flat angles C4'-P-C4' energy: -108.468
flat angles P-C4'-P energy: -69.311
tors. eta vs tors. theta energy: -127.566
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: 6, replica: 7
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -1487.875137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.875137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.875137 (E_RNA)
where:
Base-Base interactions energy: -1046.542
where: short stacking energy: -451.493
Base-Backbone interact. energy: -2.023
local terms energy: -439.310111
where:
bonds (distance) C4'-P energy: -76.616
bonds (distance) P-C4' energy: -86.225
flat angles C4'-P-C4' energy: -100.084
flat angles P-C4'-P energy: -68.657
tors. eta vs tors. theta energy: -107.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -1424.532219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1424.532219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1424.532219 (E_RNA)
where:
Base-Base interactions energy: -1002.492
where: short stacking energy: -424.016
Base-Backbone interact. energy: -1.549
local terms energy: -420.492098
where:
bonds (distance) C4'-P energy: -78.601
bonds (distance) P-C4' energy: -80.743
flat angles C4'-P-C4' energy: -94.837
flat angles P-C4'-P energy: -66.879
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: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -1303.545123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1303.545123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1303.545123 (E_RNA)
where:
Base-Base interactions energy: -890.151
where: short stacking energy: -357.392
Base-Backbone interact. energy: -2.606
local terms energy: -410.787618
where:
bonds (distance) C4'-P energy: -105.416
bonds (distance) P-C4' energy: -90.607
flat angles C4'-P-C4' energy: -86.806
flat angles P-C4'-P energy: -51.130
tors. eta vs tors. theta energy: -76.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -1254.131365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1254.131365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1254.131365 (E_RNA)
where:
Base-Base interactions energy: -881.490
where: short stacking energy: -349.950
Base-Backbone interact. energy: -1.313
local terms energy: -371.327866
where:
bonds (distance) C4'-P energy: -67.235
bonds (distance) P-C4' energy: -89.252
flat angles C4'-P-C4' energy: -81.488
flat angles P-C4'-P energy: -53.815
tors. eta vs tors. theta energy: -79.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -716.313042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -716.313042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -716.313042 (E_RNA)
where:
Base-Base interactions energy: -403.374
where: short stacking energy: -206.449
Base-Backbone interact. energy: -1.116
local terms energy: -311.822375
where:
bonds (distance) C4'-P energy: -70.241
bonds (distance) P-C4' energy: -87.417
flat angles C4'-P-C4' energy: -81.575
flat angles P-C4'-P energy: -40.592
tors. eta vs tors. theta energy: -31.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -1938.723505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1938.723505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1938.723505 (E_RNA)
where:
Base-Base interactions energy: -1387.944
where: short stacking energy: -560.852
Base-Backbone interact. energy: -4.420
local terms energy: -546.359307
where:
bonds (distance) C4'-P energy: -88.730
bonds (distance) P-C4' energy: -104.073
flat angles C4'-P-C4' energy: -127.083
flat angles P-C4'-P energy: -75.630
tors. eta vs tors. theta energy: -150.843
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: 1
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -1893.374239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.374239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.374239 (E_RNA)
where:
Base-Base interactions energy: -1343.730
where: short stacking energy: -526.075
Base-Backbone interact. energy: 0.375
local terms energy: -550.019649
where:
bonds (distance) C4'-P energy: -111.362
bonds (distance) P-C4' energy: -84.802
flat angles C4'-P-C4' energy: -128.701
flat angles P-C4'-P energy: -86.131
tors. eta vs tors. theta energy: -139.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -1802.883423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.883423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.883423 (E_RNA)
where:
Base-Base interactions energy: -1285.215
where: short stacking energy: -534.857
Base-Backbone interact. energy: 1.125
local terms energy: -518.793768
where:
bonds (distance) C4'-P energy: -101.532
bonds (distance) P-C4' energy: -87.077
flat angles C4'-P-C4' energy: -102.983
flat angles P-C4'-P energy: -83.038
tors. eta vs tors. theta energy: -144.165
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: 8
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -1693.277754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.277754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.277754 (E_RNA)
where:
Base-Base interactions energy: -1207.907
where: short stacking energy: -506.193
Base-Backbone interact. energy: -2.853
local terms energy: -482.518252
where:
bonds (distance) C4'-P energy: -86.250
bonds (distance) P-C4' energy: -96.126
flat angles C4'-P-C4' energy: -94.566
flat angles P-C4'-P energy: -70.765
tors. eta vs tors. theta energy: -134.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -1657.377933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.377933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.377933 (E_RNA)
where:
Base-Base interactions energy: -1183.844
where: short stacking energy: -495.294
Base-Backbone interact. energy: -1.157
local terms energy: -472.376878
where:
bonds (distance) C4'-P energy: -91.094
bonds (distance) P-C4' energy: -86.690
flat angles C4'-P-C4' energy: -100.206
flat angles P-C4'-P energy: -63.931
tors. eta vs tors. theta energy: -130.456
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: 7
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -1471.019287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.019287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.019287 (E_RNA)
where:
Base-Base interactions energy: -994.738
where: short stacking energy: -446.020
Base-Backbone interact. energy: 5.615
local terms energy: -481.896635
where:
bonds (distance) C4'-P energy: -97.248
bonds (distance) P-C4' energy: -102.876
flat angles C4'-P-C4' energy: -116.270
flat angles P-C4'-P energy: -59.058
tors. eta vs tors. theta energy: -106.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -1376.294978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1376.294978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1376.294978 (E_RNA)
where:
Base-Base interactions energy: -967.743
where: short stacking energy: -415.534
Base-Backbone interact. energy: -1.821
local terms energy: -406.731587
where:
bonds (distance) C4'-P energy: -85.755
bonds (distance) P-C4' energy: -85.300
flat angles C4'-P-C4' energy: -94.848
flat angles P-C4'-P energy: -49.707
tors. eta vs tors. theta energy: -91.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -1307.353987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1307.353987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1307.353987 (E_RNA)
where:
Base-Base interactions energy: -906.759
where: short stacking energy: -388.645
Base-Backbone interact. energy: -0.479
local terms energy: -400.115966
where:
bonds (distance) C4'-P energy: -91.987
bonds (distance) P-C4' energy: -70.584
flat angles C4'-P-C4' energy: -90.831
flat angles P-C4'-P energy: -69.407
tors. eta vs tors. theta energy: -77.307
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: 5
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -1259.371961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.371961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.371961 (E_RNA)
where:
Base-Base interactions energy: -854.737
where: short stacking energy: -364.413
Base-Backbone interact. energy: 1.050
local terms energy: -405.685046
where:
bonds (distance) C4'-P energy: -83.975
bonds (distance) P-C4' energy: -78.847
flat angles C4'-P-C4' energy: -96.306
flat angles P-C4'-P energy: -60.562
tors. eta vs tors. theta energy: -85.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -678.301376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -678.301376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -678.301376 (E_RNA)
where:
Base-Base interactions energy: -403.801
where: short stacking energy: -185.798
Base-Backbone interact. energy: 1.530
local terms energy: -276.030538
where:
bonds (distance) C4'-P energy: -68.677
bonds (distance) P-C4' energy: -78.528
flat angles C4'-P-C4' energy: -62.531
flat angles P-C4'-P energy: -58.640
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -1946.985113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.985113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.985113 (E_RNA)
where:
Base-Base interactions energy: -1373.175
where: short stacking energy: -547.677
Base-Backbone interact. energy: -2.579
local terms energy: -571.231021
where:
bonds (distance) C4'-P energy: -104.442
bonds (distance) P-C4' energy: -97.433
flat angles C4'-P-C4' energy: -130.879
flat angles P-C4'-P energy: -78.317
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: 1
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -1911.369950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1911.369950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1911.369950 (E_RNA)
where:
Base-Base interactions energy: -1375.717
where: short stacking energy: -543.628
Base-Backbone interact. energy: -3.560
local terms energy: -532.092589
where:
bonds (distance) C4'-P energy: -91.754
bonds (distance) P-C4' energy: -104.493
flat angles C4'-P-C4' energy: -113.568
flat angles P-C4'-P energy: -71.995
tors. eta vs tors. theta energy: -150.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -1767.070213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1767.070213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1767.070213 (E_RNA)
where:
Base-Base interactions energy: -1249.804
where: short stacking energy: -521.916
Base-Backbone interact. energy: -1.825
local terms energy: -515.441305
where:
bonds (distance) C4'-P energy: -96.810
bonds (distance) P-C4' energy: -88.621
flat angles C4'-P-C4' energy: -118.002
flat angles P-C4'-P energy: -68.651
tors. eta vs tors. theta energy: -143.357
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: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -1731.057192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.057192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.057192 (E_RNA)
where:
Base-Base interactions energy: -1222.839
where: short stacking energy: -499.655
Base-Backbone interact. energy: -0.184
local terms energy: -508.034030
where:
bonds (distance) C4'-P energy: -95.865
bonds (distance) P-C4' energy: -92.762
flat angles C4'-P-C4' energy: -108.446
flat angles P-C4'-P energy: -71.311
tors. eta vs tors. theta energy: -139.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -1638.632885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1638.632885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1638.632885 (E_RNA)
where:
Base-Base interactions energy: -1177.493
where: short stacking energy: -481.980
Base-Backbone interact. energy: -0.933
local terms energy: -460.206845
where:
bonds (distance) C4'-P energy: -99.910
bonds (distance) P-C4' energy: -88.886
flat angles C4'-P-C4' energy: -98.280
flat angles P-C4'-P energy: -60.467
tors. eta vs tors. theta energy: -112.664
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: 7
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -1477.052838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1477.052838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1477.052838 (E_RNA)
where:
Base-Base interactions energy: -1028.938
where: short stacking energy: -437.633
Base-Backbone interact. energy: -1.135
local terms energy: -446.979648
where:
bonds (distance) C4'-P energy: -99.191
bonds (distance) P-C4' energy: -75.506
flat angles C4'-P-C4' energy: -105.570
flat angles P-C4'-P energy: -55.716
tors. eta vs tors. theta energy: -110.996
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: 7, replica: 9
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -1421.405762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1421.405762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1421.405762 (E_RNA)
where:
Base-Base interactions energy: -1006.268
where: short stacking energy: -411.944
Base-Backbone interact. energy: -0.464
local terms energy: -414.674281
where:
bonds (distance) C4'-P energy: -90.689
bonds (distance) P-C4' energy: -84.428
flat angles C4'-P-C4' energy: -90.249
flat angles P-C4'-P energy: -52.114
tors. eta vs tors. theta energy: -97.195
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: 6
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -1315.068277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.068277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.068277 (E_RNA)
where:
Base-Base interactions energy: -901.527
where: short stacking energy: -391.431
Base-Backbone interact. energy: 2.200
local terms energy: -415.740647
where:
bonds (distance) C4'-P energy: -75.828
bonds (distance) P-C4' energy: -94.606
flat angles C4'-P-C4' energy: -96.359
flat angles P-C4'-P energy: -63.731
tors. eta vs tors. theta energy: -85.217
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: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -1264.307025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.307025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.307025 (E_RNA)
where:
Base-Base interactions energy: -870.049
where: short stacking energy: -348.027
Base-Backbone interact. energy: -2.093
local terms energy: -392.165095
where:
bonds (distance) C4'-P energy: -93.100
bonds (distance) P-C4' energy: -66.595
flat angles C4'-P-C4' energy: -95.214
flat angles P-C4'-P energy: -67.016
tors. eta vs tors. theta energy: -70.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -703.449757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -703.449757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -703.449757 (E_RNA)
where:
Base-Base interactions energy: -394.073
where: short stacking energy: -214.731
Base-Backbone interact. energy: -0.132
local terms energy: -309.245466
where:
bonds (distance) C4'-P energy: -90.961
bonds (distance) P-C4' energy: -76.135
flat angles C4'-P-C4' energy: -89.445
flat angles P-C4'-P energy: -36.255
tors. eta vs tors. theta energy: -16.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -1941.123391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.123391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.123391 (E_RNA)
where:
Base-Base interactions energy: -1379.232
where: short stacking energy: -562.762
Base-Backbone interact. energy: -2.632
local terms energy: -559.258661
where:
bonds (distance) C4'-P energy: -103.990
bonds (distance) P-C4' energy: -99.330
flat angles C4'-P-C4' energy: -124.444
flat angles P-C4'-P energy: -70.325
tors. eta vs tors. theta energy: -161.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -1923.023481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.023481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.023481 (E_RNA)
where:
Base-Base interactions energy: -1377.502
where: short stacking energy: -552.059
Base-Backbone interact. energy: 4.247
local terms energy: -549.768702
where:
bonds (distance) C4'-P energy: -100.451
bonds (distance) P-C4' energy: -103.260
flat angles C4'-P-C4' energy: -113.101
flat angles P-C4'-P energy: -81.756
tors. eta vs tors. theta energy: -151.201
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: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -1764.474562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1764.474562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1764.474562 (E_RNA)
where:
Base-Base interactions energy: -1262.592
where: short stacking energy: -514.305
Base-Backbone interact. energy: 0.782
local terms energy: -502.664376
where:
bonds (distance) C4'-P energy: -93.066
bonds (distance) P-C4' energy: -83.928
flat angles C4'-P-C4' energy: -110.823
flat angles P-C4'-P energy: -74.932
tors. eta vs tors. theta energy: -139.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -1740.447705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.447705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.447705 (E_RNA)
where:
Base-Base interactions energy: -1210.565
where: short stacking energy: -504.275
Base-Backbone interact. energy: -3.822
local terms energy: -526.061050
where:
bonds (distance) C4'-P energy: -99.222
bonds (distance) P-C4' energy: -97.383
flat angles C4'-P-C4' energy: -104.944
flat angles P-C4'-P energy: -76.352
tors. eta vs tors. theta energy: -148.160
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: 4
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -1662.671343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.671343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.671343 (E_RNA)
where:
Base-Base interactions energy: -1193.781
where: short stacking energy: -474.798
Base-Backbone interact. energy: -0.685
local terms energy: -468.205274
where:
bonds (distance) C4'-P energy: -89.643
bonds (distance) P-C4' energy: -95.813
flat angles C4'-P-C4' energy: -98.463
flat angles P-C4'-P energy: -60.374
tors. eta vs tors. theta energy: -123.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -1489.268647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1489.268647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1489.268647 (E_RNA)
where:
Base-Base interactions energy: -1015.021
where: short stacking energy: -441.892
Base-Backbone interact. energy: 1.253
local terms energy: -475.501045
where:
bonds (distance) C4'-P energy: -86.772
bonds (distance) P-C4' energy: -98.347
flat angles C4'-P-C4' energy: -112.178
flat angles P-C4'-P energy: -63.684
tors. eta vs tors. theta energy: -114.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -1495.437542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.437542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.437542 (E_RNA)
where:
Base-Base interactions energy: -1049.057
where: short stacking energy: -449.864
Base-Backbone interact. energy: -0.915
local terms energy: -445.465150
where:
bonds (distance) C4'-P energy: -100.977
bonds (distance) P-C4' energy: -71.927
flat angles C4'-P-C4' energy: -107.893
flat angles P-C4'-P energy: -48.609
tors. eta vs tors. theta energy: -116.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -1453.586255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.586255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.586255 (E_RNA)
where:
Base-Base interactions energy: -1021.151
where: short stacking energy: -438.382
Base-Backbone interact. energy: 2.455
local terms energy: -434.891040
where:
bonds (distance) C4'-P energy: -87.685
bonds (distance) P-C4' energy: -86.593
flat angles C4'-P-C4' energy: -83.005
flat angles P-C4'-P energy: -61.980
tors. eta vs tors. theta energy: -115.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -1284.578825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1284.578825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1284.578825 (E_RNA)
where:
Base-Base interactions energy: -857.870
where: short stacking energy: -391.900
Base-Backbone interact. energy: -0.625
local terms energy: -426.083824
where:
bonds (distance) C4'-P energy: -82.736
bonds (distance) P-C4' energy: -99.694
flat angles C4'-P-C4' energy: -94.412
flat angles P-C4'-P energy: -53.468
tors. eta vs tors. theta energy: -95.775
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: 399
Temperature: 1.350000
Total energy: -728.042764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -728.042764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -728.042764 (E_RNA)
where:
Base-Base interactions energy: -393.823
where: short stacking energy: -201.907
Base-Backbone interact. energy: -0.946
local terms energy: -333.274604
where:
bonds (distance) C4'-P energy: -91.416
bonds (distance) P-C4' energy: -83.278
flat angles C4'-P-C4' energy: -74.701
flat angles P-C4'-P energy: -52.916
tors. eta vs tors. theta energy: -30.962
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: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -1922.150953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.150953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.150953 (E_RNA)
where:
Base-Base interactions energy: -1358.678
where: short stacking energy: -567.830
Base-Backbone interact. energy: 1.486
local terms energy: -564.959282
where:
bonds (distance) C4'-P energy: -108.914
bonds (distance) P-C4' energy: -98.712
flat angles C4'-P-C4' energy: -119.524
flat angles P-C4'-P energy: -76.689
tors. eta vs tors. theta energy: -161.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -1891.529983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.529983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.529983 (E_RNA)
where:
Base-Base interactions energy: -1352.679
where: short stacking energy: -527.866
Base-Backbone interact. energy: -2.609
local terms energy: -536.241813
where:
bonds (distance) C4'-P energy: -89.625
bonds (distance) P-C4' energy: -103.823
flat angles C4'-P-C4' energy: -107.684
flat angles P-C4'-P energy: -77.335
tors. eta vs tors. theta energy: -157.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -1811.039683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.039683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.039683 (E_RNA)
where:
Base-Base interactions energy: -1280.147
where: short stacking energy: -529.721
Base-Backbone interact. energy: -2.691
local terms energy: -528.201906
where:
bonds (distance) C4'-P energy: -99.300
bonds (distance) P-C4' energy: -94.987
flat angles C4'-P-C4' energy: -116.535
flat angles P-C4'-P energy: -66.666
tors. eta vs tors. theta energy: -150.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -1745.853491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.853491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.853491 (E_RNA)
where:
Base-Base interactions energy: -1237.428
where: short stacking energy: -488.354
Base-Backbone interact. energy: -3.911
local terms energy: -504.514978
where:
bonds (distance) C4'-P energy: -89.200
bonds (distance) P-C4' energy: -101.260
flat angles C4'-P-C4' energy: -104.993
flat angles P-C4'-P energy: -75.632
tors. eta vs tors. theta energy: -133.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -1674.680839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.680839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.680839 (E_RNA)
where:
Base-Base interactions energy: -1176.118
where: short stacking energy: -486.826
Base-Backbone interact. energy: -2.423
local terms energy: -496.139938
where:
bonds (distance) C4'-P energy: -85.590
bonds (distance) P-C4' energy: -91.693
flat angles C4'-P-C4' energy: -113.426
flat angles P-C4'-P energy: -74.479
tors. eta vs tors. theta energy: -130.951
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: 9
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -1466.820323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1466.820323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1466.820323 (E_RNA)
where:
Base-Base interactions energy: -1007.566
where: short stacking energy: -438.066
Base-Backbone interact. energy: 0.769
local terms energy: -460.023023
where:
bonds (distance) C4'-P energy: -96.395
bonds (distance) P-C4' energy: -98.966
flat angles C4'-P-C4' energy: -92.125
flat angles P-C4'-P energy: -62.835
tors. eta vs tors. theta energy: -109.701
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: 7, replica: 7
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -1480.930503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.930503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.930503 (E_RNA)
where:
Base-Base interactions energy: -1020.890
where: short stacking energy: -433.638
Base-Backbone interact. energy: 0.711
local terms energy: -460.750724
where:
bonds (distance) C4'-P energy: -88.960
bonds (distance) P-C4' energy: -86.034
flat angles C4'-P-C4' energy: -108.189
flat angles P-C4'-P energy: -69.654
tors. eta vs tors. theta energy: -107.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -1410.995704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.995704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.995704 (E_RNA)
where:
Base-Base interactions energy: -978.138
where: short stacking energy: -410.967
Base-Backbone interact. energy: -1.505
local terms energy: -431.352954
where:
bonds (distance) C4'-P energy: -90.063
bonds (distance) P-C4' energy: -92.402
flat angles C4'-P-C4' energy: -96.956
flat angles P-C4'-P energy: -53.004
tors. eta vs tors. theta energy: -98.929
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: 9, replica: 5
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -1252.085748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1252.085748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1252.085748 (E_RNA)
where:
Base-Base interactions energy: -866.389
where: short stacking energy: -356.500
Base-Backbone interact. energy: -2.597
local terms energy: -383.099142
where:
bonds (distance) C4'-P energy: -62.772
bonds (distance) P-C4' energy: -88.810
flat angles C4'-P-C4' energy: -87.531
flat angles P-C4'-P energy: -57.248
tors. eta vs tors. theta energy: -86.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -718.189380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.189380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.189380 (E_RNA)
where:
Base-Base interactions energy: -414.594
where: short stacking energy: -211.191
Base-Backbone interact. energy: 3.266
local terms energy: -306.860809
where:
bonds (distance) C4'-P energy: -85.696
bonds (distance) P-C4' energy: -82.350
flat angles C4'-P-C4' energy: -72.850
flat angles P-C4'-P energy: -50.380
tors. eta vs tors. theta energy: -15.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -1934.108724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.108724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.108724 (E_RNA)
where:
Base-Base interactions energy: -1376.234
where: short stacking energy: -561.980
Base-Backbone interact. energy: -2.716
local terms energy: -555.158881
where:
bonds (distance) C4'-P energy: -105.595
bonds (distance) P-C4' energy: -101.220
flat angles C4'-P-C4' energy: -115.011
flat angles P-C4'-P energy: -75.791
tors. eta vs tors. theta energy: -157.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -1896.951581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.951581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.951581 (E_RNA)
where:
Base-Base interactions energy: -1343.946
where: short stacking energy: -535.643
Base-Backbone interact. energy: -2.607
local terms energy: -550.399173
where:
bonds (distance) C4'-P energy: -102.418
bonds (distance) P-C4' energy: -102.412
flat angles C4'-P-C4' energy: -113.698
flat angles P-C4'-P energy: -83.255
tors. eta vs tors. theta energy: -148.616
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: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -1796.030827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1796.030827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1796.030827 (E_RNA)
where:
Base-Base interactions energy: -1259.182
where: short stacking energy: -542.353
Base-Backbone interact. energy: -1.078
local terms energy: -535.771239
where:
bonds (distance) C4'-P energy: -103.813
bonds (distance) P-C4' energy: -87.267
flat angles C4'-P-C4' energy: -121.749
flat angles P-C4'-P energy: -72.319
tors. eta vs tors. theta energy: -150.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -1782.568169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.568169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.568169 (E_RNA)
where:
Base-Base interactions energy: -1267.494
where: short stacking energy: -513.636
Base-Backbone interact. energy: -0.681
local terms energy: -514.394035
where:
bonds (distance) C4'-P energy: -83.859
bonds (distance) P-C4' energy: -100.584
flat angles C4'-P-C4' energy: -105.678
flat angles P-C4'-P energy: -80.824
tors. eta vs tors. theta energy: -143.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -1706.220010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.220010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.220010 (E_RNA)
where:
Base-Base interactions energy: -1243.094
where: short stacking energy: -496.594
Base-Backbone interact. energy: 2.331
local terms energy: -465.457370
where:
bonds (distance) C4'-P energy: -90.908
bonds (distance) P-C4' energy: -79.118
flat angles C4'-P-C4' energy: -103.316
flat angles P-C4'-P energy: -61.703
tors. eta vs tors. theta energy: -130.412
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: 7
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -1538.039010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1538.039010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1538.039010 (E_RNA)
where:
Base-Base interactions energy: -1059.150
where: short stacking energy: -451.839
Base-Backbone interact. energy: 2.005
local terms energy: -480.893993
where:
bonds (distance) C4'-P energy: -103.497
bonds (distance) P-C4' energy: -90.893
flat angles C4'-P-C4' energy: -91.358
flat angles P-C4'-P energy: -79.384
tors. eta vs tors. theta energy: -115.760
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: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -1400.588418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1400.588418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1400.588418 (E_RNA)
where:
Base-Base interactions energy: -981.700
where: short stacking energy: -403.830
Base-Backbone interact. energy: -1.368
local terms energy: -417.521029
where:
bonds (distance) C4'-P energy: -82.854
bonds (distance) P-C4' energy: -84.028
flat angles C4'-P-C4' energy: -102.838
flat angles P-C4'-P energy: -51.158
tors. eta vs tors. theta energy: -96.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -1308.569427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.569427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.569427 (E_RNA)
where:
Base-Base interactions energy: -906.343
where: short stacking energy: -388.934
Base-Backbone interact. energy: 2.988
local terms energy: -405.213464
where:
bonds (distance) C4'-P energy: -84.596
bonds (distance) P-C4' energy: -85.081
flat angles C4'-P-C4' energy: -100.275
flat angles P-C4'-P energy: -53.675
tors. eta vs tors. theta energy: -81.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -1251.100368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.100368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.100368 (E_RNA)
where:
Base-Base interactions energy: -862.926
where: short stacking energy: -348.151
Base-Backbone interact. energy: -2.577
local terms energy: -385.597555
where:
bonds (distance) C4'-P energy: -71.920
bonds (distance) P-C4' energy: -91.331
flat angles C4'-P-C4' energy: -90.349
flat angles P-C4'-P energy: -53.718
tors. eta vs tors. theta energy: -78.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -686.821396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -686.821396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -686.821396 (E_RNA)
where:
Base-Base interactions energy: -386.139
where: short stacking energy: -201.686
Base-Backbone interact. energy: 4.189
local terms energy: -304.872005
where:
bonds (distance) C4'-P energy: -74.123
bonds (distance) P-C4' energy: -83.139
flat angles C4'-P-C4' energy: -75.998
flat angles P-C4'-P energy: -44.068
tors. eta vs tors. theta energy: -27.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -1929.360977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.360977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.360977 (E_RNA)
where:
Base-Base interactions energy: -1356.978
where: short stacking energy: -573.015
Base-Backbone interact. energy: 0.978
local terms energy: -573.361091
where:
bonds (distance) C4'-P energy: -102.503
bonds (distance) P-C4' energy: -106.108
flat angles C4'-P-C4' energy: -118.651
flat angles P-C4'-P energy: -77.380
tors. eta vs tors. theta energy: -168.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -1879.838484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.838484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.838484 (E_RNA)
where:
Base-Base interactions energy: -1336.970
where: short stacking energy: -545.123
Base-Backbone interact. energy: -1.164
local terms energy: -541.704317
where:
bonds (distance) C4'-P energy: -104.979
bonds (distance) P-C4' energy: -106.506
flat angles C4'-P-C4' energy: -115.983
flat angles P-C4'-P energy: -69.974
tors. eta vs tors. theta energy: -144.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -1779.426073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.426073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.426073 (E_RNA)
where:
Base-Base interactions energy: -1266.544
where: short stacking energy: -533.014
Base-Backbone interact. energy: -1.691
local terms energy: -511.191042
where:
bonds (distance) C4'-P energy: -89.472
bonds (distance) P-C4' energy: -98.640
flat angles C4'-P-C4' energy: -105.017
flat angles P-C4'-P energy: -75.789
tors. eta vs tors. theta energy: -142.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -1740.004267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.004267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.004267 (E_RNA)
where:
Base-Base interactions energy: -1237.523
where: short stacking energy: -510.877
Base-Backbone interact. energy: 0.851
local terms energy: -503.332373
where:
bonds (distance) C4'-P energy: -100.351
bonds (distance) P-C4' energy: -77.684
flat angles C4'-P-C4' energy: -107.251
flat angles P-C4'-P energy: -81.082
tors. eta vs tors. theta energy: -136.965
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: 4
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -1699.788667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.788667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.788667 (E_RNA)
where:
Base-Base interactions energy: -1218.383
where: short stacking energy: -473.452
Base-Backbone interact. energy: -0.405
local terms energy: -481.000885
where:
bonds (distance) C4'-P energy: -93.088
bonds (distance) P-C4' energy: -78.688
flat angles C4'-P-C4' energy: -114.261
flat angles P-C4'-P energy: -69.134
tors. eta vs tors. theta energy: -125.830
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: 7
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -1558.035812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1558.035812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1558.035812 (E_RNA)
where:
Base-Base interactions energy: -1095.270
where: short stacking energy: -465.669
Base-Backbone interact. energy: -2.875
local terms energy: -459.891206
where:
bonds (distance) C4'-P energy: -67.197
bonds (distance) P-C4' energy: -85.860
flat angles C4'-P-C4' energy: -114.227
flat angles P-C4'-P energy: -62.516
tors. eta vs tors. theta energy: -130.092
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: 9
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -1385.928153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1385.928153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1385.928153 (E_RNA)
where:
Base-Base interactions energy: -970.921
where: short stacking energy: -395.224
Base-Backbone interact. energy: -0.155
local terms energy: -414.852446
where:
bonds (distance) C4'-P energy: -76.954
bonds (distance) P-C4' energy: -86.368
flat angles C4'-P-C4' energy: -101.042
flat angles P-C4'-P energy: -60.010
tors. eta vs tors. theta energy: -90.479
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: 6
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -1306.007196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1306.007196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1306.007196 (E_RNA)
where:
Base-Base interactions energy: -925.494
where: short stacking energy: -351.251
Base-Backbone interact. energy: 1.345
local terms energy: -381.858308
where:
bonds (distance) C4'-P energy: -84.959
bonds (distance) P-C4' energy: -90.889
flat angles C4'-P-C4' energy: -83.285
flat angles P-C4'-P energy: -43.492
tors. eta vs tors. theta energy: -79.233
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: 9, replica: 5
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -1219.001568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.001568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.001568 (E_RNA)
where:
Base-Base interactions energy: -857.269
where: short stacking energy: -339.554
Base-Backbone interact. energy: -0.281
local terms energy: -361.450694
where:
bonds (distance) C4'-P energy: -70.942
bonds (distance) P-C4' energy: -75.998
flat angles C4'-P-C4' energy: -83.313
flat angles P-C4'-P energy: -58.624
tors. eta vs tors. theta energy: -72.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -682.840020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -682.840020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -682.840020 (E_RNA)
where:
Base-Base interactions energy: -376.254
where: short stacking energy: -198.662
Base-Backbone interact. energy: -2.813
local terms energy: -303.773445
where:
bonds (distance) C4'-P energy: -84.128
bonds (distance) P-C4' energy: -82.577
flat angles C4'-P-C4' energy: -79.522
flat angles P-C4'-P energy: -45.993
tors. eta vs tors. theta energy: -11.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -1909.397065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.397065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.397065 (E_RNA)
where:
Base-Base interactions energy: -1336.813
where: short stacking energy: -549.395
Base-Backbone interact. energy: -3.226
local terms energy: -569.357901
where:
bonds (distance) C4'-P energy: -109.065
bonds (distance) P-C4' energy: -104.840
flat angles C4'-P-C4' energy: -112.672
flat angles P-C4'-P energy: -77.271
tors. eta vs tors. theta energy: -165.510
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: 1
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -1851.868945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1851.868945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1851.868945 (E_RNA)
where:
Base-Base interactions energy: -1317.839
where: short stacking energy: -537.694
Base-Backbone interact. energy: 2.456
local terms energy: -536.485436
where:
bonds (distance) C4'-P energy: -101.721
bonds (distance) P-C4' energy: -96.892
flat angles C4'-P-C4' energy: -116.244
flat angles P-C4'-P energy: -77.590
tors. eta vs tors. theta energy: -144.039
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: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -1787.717114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.717114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.717114 (E_RNA)
where:
Base-Base interactions energy: -1261.265
where: short stacking energy: -526.957
Base-Backbone interact. energy: 0.692
local terms energy: -527.144238
where:
bonds (distance) C4'-P energy: -91.075
bonds (distance) P-C4' energy: -106.171
flat angles C4'-P-C4' energy: -111.455
flat angles P-C4'-P energy: -73.208
tors. eta vs tors. theta energy: -145.235
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: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -1716.867772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.867772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.867772 (E_RNA)
where:
Base-Base interactions energy: -1188.617
where: short stacking energy: -495.264
Base-Backbone interact. energy: -0.695
local terms energy: -527.555635
where:
bonds (distance) C4'-P energy: -102.735
bonds (distance) P-C4' energy: -99.216
flat angles C4'-P-C4' energy: -109.335
flat angles P-C4'-P energy: -77.756
tors. eta vs tors. theta energy: -138.513
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: 4
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -1672.808190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1672.808190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1672.808190 (E_RNA)
where:
Base-Base interactions energy: -1207.146
where: short stacking energy: -472.555
Base-Backbone interact. energy: 0.923
local terms energy: -466.585128
where:
bonds (distance) C4'-P energy: -84.225
bonds (distance) P-C4' energy: -74.284
flat angles C4'-P-C4' energy: -105.494
flat angles P-C4'-P energy: -74.378
tors. eta vs tors. theta energy: -128.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -1549.531223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.531223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.531223 (E_RNA)
where:
Base-Base interactions energy: -1107.768
where: short stacking energy: -468.894
Base-Backbone interact. energy: 1.167
local terms energy: -442.930656
where:
bonds (distance) C4'-P energy: -82.022
bonds (distance) P-C4' energy: -89.331
flat angles C4'-P-C4' energy: -96.200
flat angles P-C4'-P energy: -58.386
tors. eta vs tors. theta energy: -116.992
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: 9
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -1374.019138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1374.019138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1374.019138 (E_RNA)
where:
Base-Base interactions energy: -928.781
where: short stacking energy: -379.616
Base-Backbone interact. energy: -2.018
local terms energy: -443.220231
where:
bonds (distance) C4'-P energy: -91.415
bonds (distance) P-C4' energy: -98.681
flat angles C4'-P-C4' energy: -102.132
flat angles P-C4'-P energy: -62.305
tors. eta vs tors. theta energy: -88.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -1329.128502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.128502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.128502 (E_RNA)
where:
Base-Base interactions energy: -907.397
where: short stacking energy: -380.553
Base-Backbone interact. energy: -3.015
local terms energy: -418.716320
where:
bonds (distance) C4'-P energy: -86.567
bonds (distance) P-C4' energy: -94.100
flat angles C4'-P-C4' energy: -96.568
flat angles P-C4'-P energy: -55.356
tors. eta vs tors. theta energy: -86.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -1191.000923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1191.000923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1191.000923 (E_RNA)
where:
Base-Base interactions energy: -783.926
where: short stacking energy: -331.129
Base-Backbone interact. energy: -2.096
local terms energy: -404.978230
where:
bonds (distance) C4'-P energy: -76.417
bonds (distance) P-C4' energy: -92.031
flat angles C4'-P-C4' energy: -99.665
flat angles P-C4'-P energy: -63.045
tors. eta vs tors. theta energy: -73.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -680.180027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -680.180027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -680.180027 (E_RNA)
where:
Base-Base interactions energy: -390.293
where: short stacking energy: -184.907
Base-Backbone interact. energy: 3.697
local terms energy: -293.584353
where:
bonds (distance) C4'-P energy: -80.863
bonds (distance) P-C4' energy: -71.060
flat angles C4'-P-C4' energy: -76.189
flat angles P-C4'-P energy: -35.321
tors. eta vs tors. theta energy: -30.151
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: 2
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -1922.253356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1922.253356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1922.253356 (E_RNA)
where:
Base-Base interactions energy: -1351.343
where: short stacking energy: -570.012
Base-Backbone interact. energy: -0.496
local terms energy: -570.413907
where:
bonds (distance) C4'-P energy: -98.270
bonds (distance) P-C4' energy: -113.774
flat angles C4'-P-C4' energy: -119.496
flat angles P-C4'-P energy: -87.959
tors. eta vs tors. theta energy: -150.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -1892.182645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.182645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.182645 (E_RNA)
where:
Base-Base interactions energy: -1346.089
where: short stacking energy: -532.464
Base-Backbone interact. energy: -3.715
local terms energy: -542.378964
where:
bonds (distance) C4'-P energy: -87.115
bonds (distance) P-C4' energy: -105.881
flat angles C4'-P-C4' energy: -116.495
flat angles P-C4'-P energy: -78.946
tors. eta vs tors. theta energy: -153.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -1777.835675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.835675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.835675 (E_RNA)
where:
Base-Base interactions energy: -1258.616
where: short stacking energy: -491.331
Base-Backbone interact. energy: -2.117
local terms energy: -517.103013
where:
bonds (distance) C4'-P energy: -91.882
bonds (distance) P-C4' energy: -108.269
flat angles C4'-P-C4' energy: -109.240
flat angles P-C4'-P energy: -68.340
tors. eta vs tors. theta energy: -139.373
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: 8
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -1732.631032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.631032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.631032 (E_RNA)
where:
Base-Base interactions energy: -1221.967
where: short stacking energy: -497.748
Base-Backbone interact. energy: 1.215
local terms energy: -511.878428
where:
bonds (distance) C4'-P energy: -89.633
bonds (distance) P-C4' energy: -104.868
flat angles C4'-P-C4' energy: -108.998
flat angles P-C4'-P energy: -76.628
tors. eta vs tors. theta energy: -131.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -1683.394156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.394156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.394156 (E_RNA)
where:
Base-Base interactions energy: -1198.330
where: short stacking energy: -483.344
Base-Backbone interact. energy: -3.347
local terms energy: -481.716978
where:
bonds (distance) C4'-P energy: -99.483
bonds (distance) P-C4' energy: -89.942
flat angles C4'-P-C4' energy: -99.478
flat angles P-C4'-P energy: -66.565
tors. eta vs tors. theta energy: -126.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -1514.246392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1514.246392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1514.246392 (E_RNA)
where:
Base-Base interactions energy: -1068.557
where: short stacking energy: -454.947
Base-Backbone interact. energy: 4.752
local terms energy: -450.441280
where:
bonds (distance) C4'-P energy: -77.655
bonds (distance) P-C4' energy: -82.353
flat angles C4'-P-C4' energy: -110.072
flat angles P-C4'-P energy: -68.617
tors. eta vs tors. theta energy: -111.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -1372.089236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.089236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.089236 (E_RNA)
where:
Base-Base interactions energy: -937.458
where: short stacking energy: -384.092
Base-Backbone interact. energy: -3.382
local terms energy: -431.249310
where:
bonds (distance) C4'-P energy: -101.490
bonds (distance) P-C4' energy: -96.798
flat angles C4'-P-C4' energy: -98.080
flat angles P-C4'-P energy: -47.219
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: 9
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -1341.164148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.164148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.164148 (E_RNA)
where:
Base-Base interactions energy: -916.371
where: short stacking energy: -389.171
Base-Backbone interact. energy: 1.640
local terms energy: -426.433637
where:
bonds (distance) C4'-P energy: -93.376
bonds (distance) P-C4' energy: -95.985
flat angles C4'-P-C4' energy: -93.460
flat angles P-C4'-P energy: -55.880
tors. eta vs tors. theta energy: -87.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -1266.108131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.108131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.108131 (E_RNA)
where:
Base-Base interactions energy: -867.115
where: short stacking energy: -381.714
Base-Backbone interact. energy: -0.491
local terms energy: -398.502392
where:
bonds (distance) C4'-P energy: -84.499
bonds (distance) P-C4' energy: -86.150
flat angles C4'-P-C4' energy: -88.377
flat angles P-C4'-P energy: -55.895
tors. eta vs tors. theta energy: -83.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -722.091570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -722.091570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -722.091570 (E_RNA)
where:
Base-Base interactions energy: -410.512
where: short stacking energy: -200.097
Base-Backbone interact. energy: -0.795
local terms energy: -310.784287
where:
bonds (distance) C4'-P energy: -89.619
bonds (distance) P-C4' energy: -89.154
flat angles C4'-P-C4' energy: -65.509
flat angles P-C4'-P energy: -46.922
tors. eta vs tors. theta energy: -19.580
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: 2
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -1892.100933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.100933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.100933 (E_RNA)
where:
Base-Base interactions energy: -1349.759
where: short stacking energy: -548.465
Base-Backbone interact. energy: -3.841
local terms energy: -538.501306
where:
bonds (distance) C4'-P energy: -98.117
bonds (distance) P-C4' energy: -97.651
flat angles C4'-P-C4' energy: -116.985
flat angles P-C4'-P energy: -73.733
tors. eta vs tors. theta energy: -152.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -1894.554127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.554127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.554127 (E_RNA)
where:
Base-Base interactions energy: -1340.138
where: short stacking energy: -538.921
Base-Backbone interact. energy: 4.432
local terms energy: -558.847475
where:
bonds (distance) C4'-P energy: -105.511
bonds (distance) P-C4' energy: -111.359
flat angles C4'-P-C4' energy: -106.961
flat angles P-C4'-P energy: -82.527
tors. eta vs tors. theta energy: -152.490
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: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -1778.418050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1778.418050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1778.418050 (E_RNA)
where:
Base-Base interactions energy: -1242.673
where: short stacking energy: -522.541
Base-Backbone interact. energy: -1.557
local terms energy: -534.187424
where:
bonds (distance) C4'-P energy: -104.630
bonds (distance) P-C4' energy: -92.634
flat angles C4'-P-C4' energy: -119.062
flat angles P-C4'-P energy: -70.120
tors. eta vs tors. theta energy: -147.741
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: 8
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -1733.692176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.692176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.692176 (E_RNA)
where:
Base-Base interactions energy: -1225.025
where: short stacking energy: -491.034
Base-Backbone interact. energy: -1.467
local terms energy: -507.199938
where:
bonds (distance) C4'-P energy: -97.560
bonds (distance) P-C4' energy: -95.153
flat angles C4'-P-C4' energy: -116.842
flat angles P-C4'-P energy: -70.094
tors. eta vs tors. theta energy: -127.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -1640.439139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.439139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.439139 (E_RNA)
where:
Base-Base interactions energy: -1169.172
where: short stacking energy: -493.944
Base-Backbone interact. energy: -1.240
local terms energy: -470.027095
where:
bonds (distance) C4'-P energy: -86.739
bonds (distance) P-C4' energy: -87.615
flat angles C4'-P-C4' energy: -102.791
flat angles P-C4'-P energy: -63.277
tors. eta vs tors. theta energy: -129.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -1532.813116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.813116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.813116 (E_RNA)
where:
Base-Base interactions energy: -1077.967
where: short stacking energy: -445.206
Base-Backbone interact. energy: 3.933
local terms energy: -458.779354
where:
bonds (distance) C4'-P energy: -86.648
bonds (distance) P-C4' energy: -87.314
flat angles C4'-P-C4' energy: -96.632
flat angles P-C4'-P energy: -68.239
tors. eta vs tors. theta energy: -119.946
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: 405
Temperature: 1.200000
Total energy: -1412.671633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1412.671633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1412.671633 (E_RNA)
where:
Base-Base interactions energy: -987.856
where: short stacking energy: -418.984
Base-Backbone interact. energy: 0.177
local terms energy: -424.991970
where:
bonds (distance) C4'-P energy: -96.298
bonds (distance) P-C4' energy: -86.173
flat angles C4'-P-C4' energy: -90.133
flat angles P-C4'-P energy: -55.039
tors. eta vs tors. theta energy: -97.348
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: 9
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -1286.140054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1286.140054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1286.140054 (E_RNA)
where:
Base-Base interactions energy: -898.048
where: short stacking energy: -385.031
Base-Backbone interact. energy: -3.027
local terms energy: -385.065015
where:
bonds (distance) C4'-P energy: -65.437
bonds (distance) P-C4' energy: -84.277
flat angles C4'-P-C4' energy: -101.312
flat angles P-C4'-P energy: -52.120
tors. eta vs tors. theta energy: -81.919
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: 5
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -1149.299733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.299733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.299733 (E_RNA)
where:
Base-Base interactions energy: -763.179
where: short stacking energy: -345.780
Base-Backbone interact. energy: 1.180
local terms energy: -387.300828
where:
bonds (distance) C4'-P energy: -69.917
bonds (distance) P-C4' energy: -82.342
flat angles C4'-P-C4' energy: -89.053
flat angles P-C4'-P energy: -62.757
tors. eta vs tors. theta energy: -83.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -724.833200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -724.833200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -724.833200 (E_RNA)
where:
Base-Base interactions energy: -384.083
where: short stacking energy: -198.639
Base-Backbone interact. energy: -1.791
local terms energy: -338.958709
where:
bonds (distance) C4'-P energy: -75.734
bonds (distance) P-C4' energy: -95.915
flat angles C4'-P-C4' energy: -78.720
flat angles P-C4'-P energy: -55.731
tors. eta vs tors. theta energy: -32.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -1936.909066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1936.909066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1936.909066 (E_RNA)
where:
Base-Base interactions energy: -1374.957
where: short stacking energy: -569.079
Base-Backbone interact. energy: -1.786
local terms energy: -560.165952
where:
bonds (distance) C4'-P energy: -97.830
bonds (distance) P-C4' energy: -108.276
flat angles C4'-P-C4' energy: -123.567
flat angles P-C4'-P energy: -79.426
tors. eta vs tors. theta energy: -151.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -1860.343064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.343064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.343064 (E_RNA)
where:
Base-Base interactions energy: -1298.590
where: short stacking energy: -547.794
Base-Backbone interact. energy: -2.089
local terms energy: -559.664142
where:
bonds (distance) C4'-P energy: -100.533
bonds (distance) P-C4' energy: -92.916
flat angles C4'-P-C4' energy: -119.527
flat angles P-C4'-P energy: -84.899
tors. eta vs tors. theta energy: -161.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -1820.697298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.697298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.697298 (E_RNA)
where:
Base-Base interactions energy: -1286.347
where: short stacking energy: -512.974
Base-Backbone interact. energy: -0.580
local terms energy: -533.769923
where:
bonds (distance) C4'-P energy: -98.590
bonds (distance) P-C4' energy: -100.209
flat angles C4'-P-C4' energy: -118.593
flat angles P-C4'-P energy: -76.626
tors. eta vs tors. theta energy: -139.753
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: 8
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -1748.918681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.918681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.918681 (E_RNA)
where:
Base-Base interactions energy: -1256.370
where: short stacking energy: -525.742
Base-Backbone interact. energy: 7.878
local terms energy: -500.426553
where:
bonds (distance) C4'-P energy: -90.480
bonds (distance) P-C4' energy: -93.274
flat angles C4'-P-C4' energy: -105.415
flat angles P-C4'-P energy: -71.746
tors. eta vs tors. theta energy: -139.512
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: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -1639.236903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.236903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.236903 (E_RNA)
where:
Base-Base interactions energy: -1154.936
where: short stacking energy: -468.841
Base-Backbone interact. energy: -0.044
local terms energy: -484.256677
where:
bonds (distance) C4'-P energy: -83.308
bonds (distance) P-C4' energy: -96.822
flat angles C4'-P-C4' energy: -98.829
flat angles P-C4'-P energy: -82.090
tors. eta vs tors. theta energy: -123.209
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: 7
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -1500.480783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.480783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.480783 (E_RNA)
where:
Base-Base interactions energy: -1017.817
where: short stacking energy: -428.547
Base-Backbone interact. energy: -1.260
local terms energy: -481.403632
where:
bonds (distance) C4'-P energy: -82.906
bonds (distance) P-C4' energy: -100.190
flat angles C4'-P-C4' energy: -111.337
flat angles P-C4'-P energy: -66.899
tors. eta vs tors. theta energy: -120.071
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: 6
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -1441.118421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1441.118421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1441.118421 (E_RNA)
where:
Base-Base interactions energy: -1019.913
where: short stacking energy: -400.621
Base-Backbone interact. energy: -0.272
local terms energy: -420.933312
where:
bonds (distance) C4'-P energy: -84.824
bonds (distance) P-C4' energy: -95.549
flat angles C4'-P-C4' energy: -92.775
flat angles P-C4'-P energy: -58.444
tors. eta vs tors. theta energy: -89.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -1348.467360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.467360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.467360 (E_RNA)
where:
Base-Base interactions energy: -922.659
where: short stacking energy: -359.396
Base-Backbone interact. energy: 0.644
local terms energy: -426.452664
where:
bonds (distance) C4'-P energy: -83.751
bonds (distance) P-C4' energy: -98.951
flat angles C4'-P-C4' energy: -101.333
flat angles P-C4'-P energy: -65.154
tors. eta vs tors. theta energy: -77.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -1161.466237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.466237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.466237 (E_RNA)
where:
Base-Base interactions energy: -768.606
where: short stacking energy: -313.755
Base-Backbone interact. energy: -1.639
local terms energy: -391.221649
where:
bonds (distance) C4'-P energy: -78.603
bonds (distance) P-C4' energy: -97.404
flat angles C4'-P-C4' energy: -86.975
flat angles P-C4'-P energy: -54.130
tors. eta vs tors. theta energy: -74.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -699.012429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.012429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.012429 (E_RNA)
where:
Base-Base interactions energy: -392.201
where: short stacking energy: -197.292
Base-Backbone interact. energy: 2.005
local terms energy: -308.816567
where:
bonds (distance) C4'-P energy: -83.459
bonds (distance) P-C4' energy: -82.468
flat angles C4'-P-C4' energy: -84.690
flat angles P-C4'-P energy: -50.419
tors. eta vs tors. theta energy: -7.780
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: 1, replica: 1
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -1913.182675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.182675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.182675 (E_RNA)
where:
Base-Base interactions energy: -1340.500
where: short stacking energy: -549.277
Base-Backbone interact. energy: 2.685
local terms energy: -575.367396
where:
bonds (distance) C4'-P energy: -100.607
bonds (distance) P-C4' energy: -107.898
flat angles C4'-P-C4' energy: -117.399
flat angles P-C4'-P energy: -90.355
tors. eta vs tors. theta energy: -159.108
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: 407
Temperature: 0.950000
Total energy: -1847.301887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.301887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.301887 (E_RNA)
where:
Base-Base interactions energy: -1304.583
where: short stacking energy: -530.240
Base-Backbone interact. energy: -1.106
local terms energy: -541.613492
where:
bonds (distance) C4'-P energy: -87.827
bonds (distance) P-C4' energy: -102.737
flat angles C4'-P-C4' energy: -114.585
flat angles P-C4'-P energy: -89.248
tors. eta vs tors. theta energy: -147.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -1800.800804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.800804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.800804 (E_RNA)
where:
Base-Base interactions energy: -1274.104
where: short stacking energy: -525.991
Base-Backbone interact. energy: -3.943
local terms energy: -522.754049
where:
bonds (distance) C4'-P energy: -93.670
bonds (distance) P-C4' energy: -102.881
flat angles C4'-P-C4' energy: -99.226
flat angles P-C4'-P energy: -86.306
tors. eta vs tors. theta energy: -140.670
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: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -1702.420022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1702.420022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1702.420022 (E_RNA)
where:
Base-Base interactions energy: -1203.167
where: short stacking energy: -511.020
Base-Backbone interact. energy: -2.535
local terms energy: -496.718213
where:
bonds (distance) C4'-P energy: -89.570
bonds (distance) P-C4' energy: -92.161
flat angles C4'-P-C4' energy: -97.989
flat angles P-C4'-P energy: -86.543
tors. eta vs tors. theta energy: -130.456
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: 8
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -1720.800877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.800877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.800877 (E_RNA)
where:
Base-Base interactions energy: -1239.731
where: short stacking energy: -529.166
Base-Backbone interact. energy: 2.982
local terms energy: -484.052597
where:
bonds (distance) C4'-P energy: -79.223
bonds (distance) P-C4' energy: -88.433
flat angles C4'-P-C4' energy: -105.185
flat angles P-C4'-P energy: -71.650
tors. eta vs tors. theta energy: -139.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -1439.889557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.889557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.889557 (E_RNA)
where:
Base-Base interactions energy: -986.614
where: short stacking energy: -416.375
Base-Backbone interact. energy: -2.603
local terms energy: -450.672741
where:
bonds (distance) C4'-P energy: -83.888
bonds (distance) P-C4' energy: -101.603
flat angles C4'-P-C4' energy: -94.118
flat angles P-C4'-P energy: -62.761
tors. eta vs tors. theta energy: -108.303
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: 7
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -1471.561258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.561258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.561258 (E_RNA)
where:
Base-Base interactions energy: -1027.218
where: short stacking energy: -428.241
Base-Backbone interact. energy: -3.097
local terms energy: -441.246025
where:
bonds (distance) C4'-P energy: -103.637
bonds (distance) P-C4' energy: -84.424
flat angles C4'-P-C4' energy: -89.869
flat angles P-C4'-P energy: -63.616
tors. eta vs tors. theta energy: -99.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -1331.176301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1331.176301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1331.176301 (E_RNA)
where:
Base-Base interactions energy: -930.472
where: short stacking energy: -368.970
Base-Backbone interact. energy: 1.091
local terms energy: -401.794881
where:
bonds (distance) C4'-P energy: -85.762
bonds (distance) P-C4' energy: -71.565
flat angles C4'-P-C4' energy: -105.883
flat angles P-C4'-P energy: -55.937
tors. eta vs tors. theta energy: -82.648
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: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -1062.002382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1062.002382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1062.002382 (E_RNA)
where:
Base-Base interactions energy: -678.592
where: short stacking energy: -281.665
Base-Backbone interact. energy: -3.592
local terms energy: -379.817833
where:
bonds (distance) C4'-P energy: -93.344
bonds (distance) P-C4' energy: -86.658
flat angles C4'-P-C4' energy: -93.702
flat angles P-C4'-P energy: -52.093
tors. eta vs tors. theta energy: -54.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -702.315345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -702.315345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -702.315345 (E_RNA)
where:
Base-Base interactions energy: -392.732
where: short stacking energy: -215.761
Base-Backbone interact. energy: 4.036
local terms energy: -313.619121
where:
bonds (distance) C4'-P energy: -71.621
bonds (distance) P-C4' energy: -86.357
flat angles C4'-P-C4' energy: -69.431
flat angles P-C4'-P energy: -58.964
tors. eta vs tors. theta energy: -27.246
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: 408
Temperature: 0.900000
Total energy: -1903.362648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.362648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.362648 (E_RNA)
where:
Base-Base interactions energy: -1355.610
where: short stacking energy: -562.056
Base-Backbone interact. energy: -3.167
local terms energy: -544.584899
where:
bonds (distance) C4'-P energy: -102.919
bonds (distance) P-C4' energy: -90.837
flat angles C4'-P-C4' energy: -111.483
flat angles P-C4'-P energy: -86.217
tors. eta vs tors. theta energy: -153.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -1881.342330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.342330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.342330 (E_RNA)
where:
Base-Base interactions energy: -1347.938
where: short stacking energy: -538.981
Base-Backbone interact. energy: -2.677
local terms energy: -530.727430
where:
bonds (distance) C4'-P energy: -103.490
bonds (distance) P-C4' energy: -90.359
flat angles C4'-P-C4' energy: -109.781
flat angles P-C4'-P energy: -80.023
tors. eta vs tors. theta energy: -147.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -1779.544873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.544873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.544873 (E_RNA)
where:
Base-Base interactions energy: -1245.571
where: short stacking energy: -530.706
Base-Backbone interact. energy: -4.337
local terms energy: -529.637253
where:
bonds (distance) C4'-P energy: -103.797
bonds (distance) P-C4' energy: -103.770
flat angles C4'-P-C4' energy: -109.370
flat angles P-C4'-P energy: -59.751
tors. eta vs tors. theta energy: -152.949
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: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -1710.497988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.497988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.497988 (E_RNA)
where:
Base-Base interactions energy: -1209.760
where: short stacking energy: -512.233
Base-Backbone interact. energy: 1.932
local terms energy: -502.670401
where:
bonds (distance) C4'-P energy: -93.109
bonds (distance) P-C4' energy: -94.794
flat angles C4'-P-C4' energy: -115.859
flat angles P-C4'-P energy: -69.255
tors. eta vs tors. theta energy: -129.655
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: 5, replica: 8
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -1655.778684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.778684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.778684 (E_RNA)
where:
Base-Base interactions energy: -1164.516
where: short stacking energy: -482.681
Base-Backbone interact. energy: -2.347
local terms energy: -488.915330
where:
bonds (distance) C4'-P energy: -99.163
bonds (distance) P-C4' energy: -88.942
flat angles C4'-P-C4' energy: -112.933
flat angles P-C4'-P energy: -55.774
tors. eta vs tors. theta energy: -132.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -1500.831683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.831683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.831683 (E_RNA)
where:
Base-Base interactions energy: -1054.649
where: short stacking energy: -402.689
Base-Backbone interact. energy: -3.331
local terms energy: -442.851982
where:
bonds (distance) C4'-P energy: -79.067
bonds (distance) P-C4' energy: -92.900
flat angles C4'-P-C4' energy: -108.820
flat angles P-C4'-P energy: -65.746
tors. eta vs tors. theta energy: -96.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -1427.333222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.333222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.333222 (E_RNA)
where:
Base-Base interactions energy: -977.190
where: short stacking energy: -419.308
Base-Backbone interact. energy: -0.988
local terms energy: -449.155288
where:
bonds (distance) C4'-P energy: -72.505
bonds (distance) P-C4' energy: -99.533
flat angles C4'-P-C4' energy: -95.820
flat angles P-C4'-P energy: -64.618
tors. eta vs tors. theta energy: -116.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -1310.832178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.832178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.832178 (E_RNA)
where:
Base-Base interactions energy: -917.625
where: short stacking energy: -350.999
Base-Backbone interact. energy: 4.650
local terms energy: -397.856962
where:
bonds (distance) C4'-P energy: -89.796
bonds (distance) P-C4' energy: -97.112
flat angles C4'-P-C4' energy: -78.946
flat angles P-C4'-P energy: -62.992
tors. eta vs tors. theta energy: -69.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -1066.859582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1066.859582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1066.859582 (E_RNA)
where:
Base-Base interactions energy: -719.932
where: short stacking energy: -316.276
Base-Backbone interact. energy: 0.196
local terms energy: -347.123353
where:
bonds (distance) C4'-P energy: -81.619
bonds (distance) P-C4' energy: -87.432
flat angles C4'-P-C4' energy: -87.697
flat angles P-C4'-P energy: -39.950
tors. eta vs tors. theta energy: -50.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -733.523316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.523316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.523316 (E_RNA)
where:
Base-Base interactions energy: -448.806
where: short stacking energy: -206.591
Base-Backbone interact. energy: 0.321
local terms energy: -285.037920
where:
bonds (distance) C4'-P energy: -76.220
bonds (distance) P-C4' energy: -72.853
flat angles C4'-P-C4' energy: -75.050
flat angles P-C4'-P energy: -48.797
tors. eta vs tors. theta energy: -12.118
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: 409
Temperature: 0.900000
Total energy: -1906.159681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1906.159681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1906.159681 (E_RNA)
where:
Base-Base interactions energy: -1327.751
where: short stacking energy: -539.450
Base-Backbone interact. energy: -3.573
local terms energy: -574.835672
where:
bonds (distance) C4'-P energy: -99.368
bonds (distance) P-C4' energy: -117.749
flat angles C4'-P-C4' energy: -118.513
flat angles P-C4'-P energy: -82.823
tors. eta vs tors. theta energy: -156.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -1933.235643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1933.235643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1933.235643 (E_RNA)
where:
Base-Base interactions energy: -1361.051
where: short stacking energy: -570.604
Base-Backbone interact. energy: -2.560
local terms energy: -569.624429
where:
bonds (distance) C4'-P energy: -104.980
bonds (distance) P-C4' energy: -102.610
flat angles C4'-P-C4' energy: -120.891
flat angles P-C4'-P energy: -80.094
tors. eta vs tors. theta energy: -161.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -1825.132624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.132624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.132624 (E_RNA)
where:
Base-Base interactions energy: -1286.296
where: short stacking energy: -534.582
Base-Backbone interact. energy: -2.386
local terms energy: -536.451202
where:
bonds (distance) C4'-P energy: -91.090
bonds (distance) P-C4' energy: -96.470
flat angles C4'-P-C4' energy: -109.679
flat angles P-C4'-P energy: -89.969
tors. eta vs tors. theta energy: -149.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -1756.347055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.347055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.347055 (E_RNA)
where:
Base-Base interactions energy: -1229.953
where: short stacking energy: -490.831
Base-Backbone interact. energy: 2.187
local terms energy: -528.580155
where:
bonds (distance) C4'-P energy: -108.984
bonds (distance) P-C4' energy: -98.595
flat angles C4'-P-C4' energy: -108.926
flat angles P-C4'-P energy: -70.101
tors. eta vs tors. theta energy: -141.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -1661.819684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.819684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.819684 (E_RNA)
where:
Base-Base interactions energy: -1159.543
where: short stacking energy: -470.254
Base-Backbone interact. energy: -2.478
local terms energy: -499.798499
where:
bonds (distance) C4'-P energy: -84.535
bonds (distance) P-C4' energy: -88.887
flat angles C4'-P-C4' energy: -112.313
flat angles P-C4'-P energy: -80.249
tors. eta vs tors. theta energy: -133.815
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: 6, replica: 6
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -1483.735103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.735103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.735103 (E_RNA)
where:
Base-Base interactions energy: -1077.124
where: short stacking energy: -411.454
Base-Backbone interact. energy: -2.698
local terms energy: -403.913347
where:
bonds (distance) C4'-P energy: -72.013
bonds (distance) P-C4' energy: -87.784
flat angles C4'-P-C4' energy: -94.155
flat angles P-C4'-P energy: -48.266
tors. eta vs tors. theta energy: -101.695
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: 409
Temperature: 1.200000
Total energy: -1471.282666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.282666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.282666 (E_RNA)
where:
Base-Base interactions energy: -1029.691
where: short stacking energy: -456.236
Base-Backbone interact. energy: 0.140
local terms energy: -441.732393
where:
bonds (distance) C4'-P energy: -77.672
bonds (distance) P-C4' energy: -86.965
flat angles C4'-P-C4' energy: -87.260
flat angles P-C4'-P energy: -70.196
tors. eta vs tors. theta energy: -119.640
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: 8, replica: 9
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -1353.976281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.976281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.976281 (E_RNA)
where:
Base-Base interactions energy: -924.019
where: short stacking energy: -379.885
Base-Backbone interact. energy: -1.374
local terms energy: -428.583762
where:
bonds (distance) C4'-P energy: -85.515
bonds (distance) P-C4' energy: -96.114
flat angles C4'-P-C4' energy: -95.325
flat angles P-C4'-P energy: -60.885
tors. eta vs tors. theta energy: -90.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -1078.237215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.237215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.237215 (E_RNA)
where:
Base-Base interactions energy: -690.885
where: short stacking energy: -294.910
Base-Backbone interact. energy: 8.958
local terms energy: -396.309993
where:
bonds (distance) C4'-P energy: -85.168
bonds (distance) P-C4' energy: -102.919
flat angles C4'-P-C4' energy: -97.777
flat angles P-C4'-P energy: -54.405
tors. eta vs tors. theta energy: -56.042
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: 409
Temperature: 1.350000
Total energy: -742.038208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -742.038208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -742.038208 (E_RNA)
where:
Base-Base interactions energy: -426.042
where: short stacking energy: -220.165
Base-Backbone interact. energy: 2.032
local terms energy: -318.028746
where:
bonds (distance) C4'-P energy: -80.647
bonds (distance) P-C4' energy: -76.520
flat angles C4'-P-C4' energy: -77.433
flat angles P-C4'-P energy: -53.369
tors. eta vs tors. theta energy: -30.059
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: 1
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -1927.728135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1927.728135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1927.728135 (E_RNA)
where:
Base-Base interactions energy: -1374.835
where: short stacking energy: -549.893
Base-Backbone interact. energy: -3.342
local terms energy: -549.551270
where:
bonds (distance) C4'-P energy: -93.261
bonds (distance) P-C4' energy: -101.910
flat angles C4'-P-C4' energy: -119.868
flat angles P-C4'-P energy: -80.783
tors. eta vs tors. theta energy: -153.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -1894.255984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1894.255984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1894.255984 (E_RNA)
where:
Base-Base interactions energy: -1320.589
where: short stacking energy: -543.802
Base-Backbone interact. energy: -3.661
local terms energy: -570.005581
where:
bonds (distance) C4'-P energy: -106.198
bonds (distance) P-C4' energy: -102.256
flat angles C4'-P-C4' energy: -116.806
flat angles P-C4'-P energy: -89.320
tors. eta vs tors. theta energy: -155.426
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: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -1795.116534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.116534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.116534 (E_RNA)
where:
Base-Base interactions energy: -1279.478
where: short stacking energy: -520.233
Base-Backbone interact. energy: -2.542
local terms energy: -513.096193
where:
bonds (distance) C4'-P energy: -93.475
bonds (distance) P-C4' energy: -90.519
flat angles C4'-P-C4' energy: -113.992
flat angles P-C4'-P energy: -71.140
tors. eta vs tors. theta energy: -143.970
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: 3
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -1747.564360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.564360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.564360 (E_RNA)
where:
Base-Base interactions energy: -1252.637
where: short stacking energy: -514.289
Base-Backbone interact. energy: -4.984
local terms energy: -489.943015
where:
bonds (distance) C4'-P energy: -85.111
bonds (distance) P-C4' energy: -90.448
flat angles C4'-P-C4' energy: -108.688
flat angles P-C4'-P energy: -69.445
tors. eta vs tors. theta energy: -136.251
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: 8
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -1658.889705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1658.889705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1658.889705 (E_RNA)
where:
Base-Base interactions energy: -1162.697
where: short stacking energy: -467.879
Base-Backbone interact. energy: 2.977
local terms energy: -499.170144
where:
bonds (distance) C4'-P energy: -86.606
bonds (distance) P-C4' energy: -87.181
flat angles C4'-P-C4' energy: -106.911
flat angles P-C4'-P energy: -83.669
tors. eta vs tors. theta energy: -134.802
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: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -1520.269534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1520.269534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1520.269534 (E_RNA)
where:
Base-Base interactions energy: -1051.213
where: short stacking energy: -435.278
Base-Backbone interact. energy: -0.454
local terms energy: -468.603213
where:
bonds (distance) C4'-P energy: -72.578
bonds (distance) P-C4' energy: -97.813
flat angles C4'-P-C4' energy: -112.706
flat angles P-C4'-P energy: -78.671
tors. eta vs tors. theta energy: -106.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -1453.290482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.290482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.290482 (E_RNA)
where:
Base-Base interactions energy: -1022.389
where: short stacking energy: -428.175
Base-Backbone interact. energy: 5.526
local terms energy: -436.427785
where:
bonds (distance) C4'-P energy: -76.011
bonds (distance) P-C4' energy: -101.037
flat angles C4'-P-C4' energy: -93.080
flat angles P-C4'-P energy: -64.395
tors. eta vs tors. theta energy: -101.905
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: 9
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -1340.795440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.795440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.795440 (E_RNA)
where:
Base-Base interactions energy: -925.238
where: short stacking energy: -396.590
Base-Backbone interact. energy: -2.032
local terms energy: -413.525570
where:
bonds (distance) C4'-P energy: -85.187
bonds (distance) P-C4' energy: -88.129
flat angles C4'-P-C4' energy: -83.631
flat angles P-C4'-P energy: -67.340
tors. eta vs tors. theta energy: -89.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -1120.510858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1120.510858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1120.510858 (E_RNA)
where:
Base-Base interactions energy: -729.275
where: short stacking energy: -329.728
Base-Backbone interact. energy: -0.811
local terms energy: -390.425084
where:
bonds (distance) C4'-P energy: -74.414
bonds (distance) P-C4' energy: -91.699
flat angles C4'-P-C4' energy: -99.039
flat angles P-C4'-P energy: -55.160
tors. eta vs tors. theta energy: -70.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -746.242939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -746.242939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -746.242939 (E_RNA)
where:
Base-Base interactions energy: -406.942
where: short stacking energy: -204.941
Base-Backbone interact. energy: 3.867
local terms energy: -343.167825
where:
bonds (distance) C4'-P energy: -81.145
bonds (distance) P-C4' energy: -99.334
flat angles C4'-P-C4' energy: -86.641
flat angles P-C4'-P energy: -56.764
tors. eta vs tors. theta energy: -19.284
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: 1, replica: 1
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -1949.259958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.259958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.259958 (E_RNA)
where:
Base-Base interactions energy: -1386.174
where: short stacking energy: -571.194
Base-Backbone interact. energy: -0.506
local terms energy: -562.579690
where:
bonds (distance) C4'-P energy: -103.169
bonds (distance) P-C4' energy: -99.482
flat angles C4'-P-C4' energy: -123.774
flat angles P-C4'-P energy: -79.807
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: 2, replica: 2
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -1872.727427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.727427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.727427 (E_RNA)
where:
Base-Base interactions energy: -1338.401
where: short stacking energy: -555.256
Base-Backbone interact. energy: 0.986
local terms energy: -535.313303
where:
bonds (distance) C4'-P energy: -98.513
bonds (distance) P-C4' energy: -94.122
flat angles C4'-P-C4' energy: -117.112
flat angles P-C4'-P energy: -70.924
tors. eta vs tors. theta energy: -154.642
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: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -1775.505552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1775.505552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1775.505552 (E_RNA)
where:
Base-Base interactions energy: -1258.335
where: short stacking energy: -506.558
Base-Backbone interact. energy: -1.186
local terms energy: -515.984768
where:
bonds (distance) C4'-P energy: -80.095
bonds (distance) P-C4' energy: -99.251
flat angles C4'-P-C4' energy: -112.698
flat angles P-C4'-P energy: -84.519
tors. eta vs tors. theta energy: -139.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -1737.708945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.708945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.708945 (E_RNA)
where:
Base-Base interactions energy: -1217.414
where: short stacking energy: -479.859
Base-Backbone interact. energy: -0.404
local terms energy: -519.891763
where:
bonds (distance) C4'-P energy: -98.144
bonds (distance) P-C4' energy: -104.242
flat angles C4'-P-C4' energy: -105.300
flat angles P-C4'-P energy: -78.256
tors. eta vs tors. theta energy: -133.951
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: 8
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -1694.871818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1694.871818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1694.871818 (E_RNA)
where:
Base-Base interactions energy: -1180.009
where: short stacking energy: -489.120
Base-Backbone interact. energy: 1.801
local terms energy: -516.664192
where:
bonds (distance) C4'-P energy: -91.141
bonds (distance) P-C4' energy: -99.337
flat angles C4'-P-C4' energy: -113.163
flat angles P-C4'-P energy: -81.791
tors. eta vs tors. theta energy: -131.233
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: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -1493.627722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.627722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.627722 (E_RNA)
where:
Base-Base interactions energy: -1048.353
where: short stacking energy: -429.080
Base-Backbone interact. energy: 0.379
local terms energy: -445.653238
where:
bonds (distance) C4'-P energy: -86.666
bonds (distance) P-C4' energy: -88.912
flat angles C4'-P-C4' energy: -93.767
flat angles P-C4'-P energy: -60.886
tors. eta vs tors. theta energy: -115.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -1419.215524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.215524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.215524 (E_RNA)
where:
Base-Base interactions energy: -980.550
where: short stacking energy: -409.917
Base-Backbone interact. energy: -0.449
local terms energy: -438.215925
where:
bonds (distance) C4'-P energy: -88.894
bonds (distance) P-C4' energy: -91.940
flat angles C4'-P-C4' energy: -95.396
flat angles P-C4'-P energy: -66.765
tors. eta vs tors. theta energy: -95.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -1323.708038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.708038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.708038 (E_RNA)
where:
Base-Base interactions energy: -895.439
where: short stacking energy: -400.441
Base-Backbone interact. energy: -1.670
local terms energy: -426.598229
where:
bonds (distance) C4'-P energy: -88.489
bonds (distance) P-C4' energy: -93.372
flat angles C4'-P-C4' energy: -96.566
flat angles P-C4'-P energy: -54.150
tors. eta vs tors. theta energy: -94.022
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: 5
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -1054.281603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.281603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.281603 (E_RNA)
where:
Base-Base interactions energy: -712.398
where: short stacking energy: -296.797
Base-Backbone interact. energy: -1.990
local terms energy: -339.893669
where:
bonds (distance) C4'-P energy: -75.070
bonds (distance) P-C4' energy: -91.446
flat angles C4'-P-C4' energy: -76.134
flat angles P-C4'-P energy: -47.256
tors. eta vs tors. theta energy: -49.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -770.212780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.212780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.212780 (E_RNA)
where:
Base-Base interactions energy: -473.208
where: short stacking energy: -239.453
Base-Backbone interact. energy: -0.704
local terms energy: -296.300710
where:
bonds (distance) C4'-P energy: -65.503
bonds (distance) P-C4' energy: -95.105
flat angles C4'-P-C4' energy: -64.636
flat angles P-C4'-P energy: -48.195
tors. eta vs tors. theta energy: -22.862
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: 1
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -1929.559290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.559290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.559290 (E_RNA)
where:
Base-Base interactions energy: -1379.781
where: short stacking energy: -561.681
Base-Backbone interact. energy: 3.089
local terms energy: -552.866845
where:
bonds (distance) C4'-P energy: -94.112
bonds (distance) P-C4' energy: -120.084
flat angles C4'-P-C4' energy: -108.640
flat angles P-C4'-P energy: -78.757
tors. eta vs tors. theta energy: -151.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -1872.486425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1872.486425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1872.486425 (E_RNA)
where:
Base-Base interactions energy: -1318.372
where: short stacking energy: -555.597
Base-Backbone interact. energy: 0.470
local terms energy: -554.584363
where:
bonds (distance) C4'-P energy: -104.038
bonds (distance) P-C4' energy: -100.349
flat angles C4'-P-C4' energy: -122.266
flat angles P-C4'-P energy: -70.229
tors. eta vs tors. theta energy: -157.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -1792.876819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1792.876819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1792.876819 (E_RNA)
where:
Base-Base interactions energy: -1257.849
where: short stacking energy: -522.636
Base-Backbone interact. energy: 3.806
local terms energy: -538.833812
where:
bonds (distance) C4'-P energy: -99.566
bonds (distance) P-C4' energy: -95.758
flat angles C4'-P-C4' energy: -117.757
flat angles P-C4'-P energy: -82.779
tors. eta vs tors. theta energy: -142.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -1730.425954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1730.425954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1730.425954 (E_RNA)
where:
Base-Base interactions energy: -1213.747
where: short stacking energy: -487.125
Base-Backbone interact. energy: 3.141
local terms energy: -519.820072
where:
bonds (distance) C4'-P energy: -100.441
bonds (distance) P-C4' energy: -105.586
flat angles C4'-P-C4' energy: -110.816
flat angles P-C4'-P energy: -70.695
tors. eta vs tors. theta energy: -132.282
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: 8
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -1692.478322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1692.478322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1692.478322 (E_RNA)
where:
Base-Base interactions energy: -1210.746
where: short stacking energy: -508.026
Base-Backbone interact. energy: -1.129
local terms energy: -480.603865
where:
bonds (distance) C4'-P energy: -81.742
bonds (distance) P-C4' energy: -97.307
flat angles C4'-P-C4' energy: -104.737
flat angles P-C4'-P energy: -63.894
tors. eta vs tors. theta energy: -132.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -1391.932450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.932450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.932450 (E_RNA)
where:
Base-Base interactions energy: -930.350
where: short stacking energy: -405.645
Base-Backbone interact. energy: -2.184
local terms energy: -459.398653
where:
bonds (distance) C4'-P energy: -87.225
bonds (distance) P-C4' energy: -91.453
flat angles C4'-P-C4' energy: -102.864
flat angles P-C4'-P energy: -76.346
tors. eta vs tors. theta energy: -101.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -1422.703066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.703066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.703066 (E_RNA)
where:
Base-Base interactions energy: -973.300
where: short stacking energy: -396.249
Base-Backbone interact. energy: -0.233
local terms energy: -449.169999
where:
bonds (distance) C4'-P energy: -94.833
bonds (distance) P-C4' energy: -96.906
flat angles C4'-P-C4' energy: -101.085
flat angles P-C4'-P energy: -65.042
tors. eta vs tors. theta energy: -91.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -1322.853000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1322.853000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1322.853000 (E_RNA)
where:
Base-Base interactions energy: -913.966
where: short stacking energy: -386.006
Base-Backbone interact. energy: -0.613
local terms energy: -408.274252
where:
bonds (distance) C4'-P energy: -83.647
bonds (distance) P-C4' energy: -76.570
flat angles C4'-P-C4' energy: -107.771
flat angles P-C4'-P energy: -59.849
tors. eta vs tors. theta energy: -80.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -1051.752311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.752311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.752311 (E_RNA)
where:
Base-Base interactions energy: -694.638
where: short stacking energy: -294.527
Base-Backbone interact. energy: 1.709
local terms energy: -358.823346
where:
bonds (distance) C4'-P energy: -84.885
bonds (distance) P-C4' energy: -76.702
flat angles C4'-P-C4' energy: -82.843
flat angles P-C4'-P energy: -61.445
tors. eta vs tors. theta energy: -52.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -731.536256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.536256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.536256 (E_RNA)
where:
Base-Base interactions energy: -418.290
where: short stacking energy: -210.280
Base-Backbone interact. energy: -1.116
local terms energy: -312.130231
where:
bonds (distance) C4'-P energy: -79.056
bonds (distance) P-C4' energy: -83.313
flat angles C4'-P-C4' energy: -72.999
flat angles P-C4'-P energy: -45.369
tors. eta vs tors. theta energy: -31.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -1914.768755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1914.768755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1914.768755 (E_RNA)
where:
Base-Base interactions energy: -1365.344
where: short stacking energy: -541.632
Base-Backbone interact. energy: -3.890
local terms energy: -545.535117
where:
bonds (distance) C4'-P energy: -103.739
bonds (distance) P-C4' energy: -99.720
flat angles C4'-P-C4' energy: -112.356
flat angles P-C4'-P energy: -83.096
tors. eta vs tors. theta energy: -146.625
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: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -1836.570402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.570402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.570402 (E_RNA)
where:
Base-Base interactions energy: -1281.398
where: short stacking energy: -526.461
Base-Backbone interact. energy: -3.868
local terms energy: -551.304746
where:
bonds (distance) C4'-P energy: -100.068
bonds (distance) P-C4' energy: -104.142
flat angles C4'-P-C4' energy: -115.384
flat angles P-C4'-P energy: -78.872
tors. eta vs tors. theta energy: -152.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -1770.763384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.763384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.763384 (E_RNA)
where:
Base-Base interactions energy: -1272.414
where: short stacking energy: -516.244
Base-Backbone interact. energy: -5.026
local terms energy: -493.323573
where:
bonds (distance) C4'-P energy: -99.006
bonds (distance) P-C4' energy: -84.602
flat angles C4'-P-C4' energy: -103.414
flat angles P-C4'-P energy: -68.553
tors. eta vs tors. theta energy: -137.748
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: 8
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -1728.645709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.645709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.645709 (E_RNA)
where:
Base-Base interactions energy: -1247.884
where: short stacking energy: -520.563
Base-Backbone interact. energy: 3.767
local terms energy: -484.529536
where:
bonds (distance) C4'-P energy: -81.111
bonds (distance) P-C4' energy: -90.476
flat angles C4'-P-C4' energy: -111.664
flat angles P-C4'-P energy: -65.170
tors. eta vs tors. theta energy: -136.109
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: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -1689.896148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.896148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.896148 (E_RNA)
where:
Base-Base interactions energy: -1188.793
where: short stacking energy: -493.238
Base-Backbone interact. energy: -1.669
local terms energy: -499.434467
where:
bonds (distance) C4'-P energy: -91.158
bonds (distance) P-C4' energy: -91.553
flat angles C4'-P-C4' energy: -117.829
flat angles P-C4'-P energy: -73.072
tors. eta vs tors. theta energy: -125.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -1453.944311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.944311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.944311 (E_RNA)
where:
Base-Base interactions energy: -1036.748
where: short stacking energy: -439.786
Base-Backbone interact. energy: -0.769
local terms energy: -416.426817
where:
bonds (distance) C4'-P energy: -72.156
bonds (distance) P-C4' energy: -77.898
flat angles C4'-P-C4' energy: -85.739
flat angles P-C4'-P energy: -74.746
tors. eta vs tors. theta energy: -105.886
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: 6
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -1382.175169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.175169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.175169 (E_RNA)
where:
Base-Base interactions energy: -961.115
where: short stacking energy: -412.631
Base-Backbone interact. energy: -2.644
local terms energy: -418.416640
where:
bonds (distance) C4'-P energy: -91.396
bonds (distance) P-C4' energy: -85.544
flat angles C4'-P-C4' energy: -94.939
flat angles P-C4'-P energy: -40.979
tors. eta vs tors. theta energy: -105.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -1333.839631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.839631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.839631 (E_RNA)
where:
Base-Base interactions energy: -908.974
where: short stacking energy: -376.316
Base-Backbone interact. energy: -0.959
local terms energy: -423.906178
where:
bonds (distance) C4'-P energy: -95.937
bonds (distance) P-C4' energy: -81.243
flat angles C4'-P-C4' energy: -96.958
flat angles P-C4'-P energy: -50.156
tors. eta vs tors. theta energy: -99.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -1038.724868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1038.724868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1038.724868 (E_RNA)
where:
Base-Base interactions energy: -701.745
where: short stacking energy: -289.594
Base-Backbone interact. energy: -2.136
local terms energy: -334.843571
where:
bonds (distance) C4'-P energy: -58.559
bonds (distance) P-C4' energy: -68.708
flat angles C4'-P-C4' energy: -91.435
flat angles P-C4'-P energy: -57.760
tors. eta vs tors. theta energy: -58.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -699.340366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.340366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.340366 (E_RNA)
where:
Base-Base interactions energy: -398.442
where: short stacking energy: -205.252
Base-Backbone interact. energy: -0.669
local terms energy: -300.229299
where:
bonds (distance) C4'-P energy: -83.886
bonds (distance) P-C4' energy: -85.160
flat angles C4'-P-C4' energy: -79.613
flat angles P-C4'-P energy: -40.966
tors. eta vs tors. theta energy: -10.604
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: 1, replica: 1
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -1917.287397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.287397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.287397 (E_RNA)
where:
Base-Base interactions energy: -1351.186
where: short stacking energy: -544.217
Base-Backbone interact. energy: 2.807
local terms energy: -568.908374
where:
bonds (distance) C4'-P energy: -108.895
bonds (distance) P-C4' energy: -108.160
flat angles C4'-P-C4' energy: -114.111
flat angles P-C4'-P energy: -84.629
tors. eta vs tors. theta energy: -153.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -1878.869660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.869660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.869660 (E_RNA)
where:
Base-Base interactions energy: -1328.548
where: short stacking energy: -550.059
Base-Backbone interact. energy: -1.431
local terms energy: -548.890249
where:
bonds (distance) C4'-P energy: -100.237
bonds (distance) P-C4' energy: -110.813
flat angles C4'-P-C4' energy: -118.541
flat angles P-C4'-P energy: -65.974
tors. eta vs tors. theta energy: -153.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -1814.204668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.204668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.204668 (E_RNA)
where:
Base-Base interactions energy: -1281.078
where: short stacking energy: -534.445
Base-Backbone interact. energy: -5.046
local terms energy: -528.080885
where:
bonds (distance) C4'-P energy: -98.167
bonds (distance) P-C4' energy: -94.324
flat angles C4'-P-C4' energy: -109.246
flat angles P-C4'-P energy: -82.426
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: 8
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -1747.749918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.749918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.749918 (E_RNA)
where:
Base-Base interactions energy: -1239.424
where: short stacking energy: -504.801
Base-Backbone interact. energy: 0.319
local terms energy: -508.644969
where:
bonds (distance) C4'-P energy: -84.322
bonds (distance) P-C4' energy: -102.427
flat angles C4'-P-C4' energy: -109.775
flat angles P-C4'-P energy: -72.654
tors. eta vs tors. theta energy: -139.468
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: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -1669.323196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.323196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.323196 (E_RNA)
where:
Base-Base interactions energy: -1162.471
where: short stacking energy: -502.550
Base-Backbone interact. energy: 0.971
local terms energy: -507.823081
where:
bonds (distance) C4'-P energy: -74.599
bonds (distance) P-C4' energy: -111.863
flat angles C4'-P-C4' energy: -116.957
flat angles P-C4'-P energy: -70.152
tors. eta vs tors. theta energy: -134.253
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: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -1473.506074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1473.506074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1473.506074 (E_RNA)
where:
Base-Base interactions energy: -1031.888
where: short stacking energy: -404.855
Base-Backbone interact. energy: 5.420
local terms energy: -447.037977
where:
bonds (distance) C4'-P energy: -84.266
bonds (distance) P-C4' energy: -91.657
flat angles C4'-P-C4' energy: -96.189
flat angles P-C4'-P energy: -72.252
tors. eta vs tors. theta energy: -102.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -1398.362726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.362726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.362726 (E_RNA)
where:
Base-Base interactions energy: -962.359
where: short stacking energy: -402.482
Base-Backbone interact. energy: -3.757
local terms energy: -432.246929
where:
bonds (distance) C4'-P energy: -79.604
bonds (distance) P-C4' energy: -98.082
flat angles C4'-P-C4' energy: -94.721
flat angles P-C4'-P energy: -70.624
tors. eta vs tors. theta energy: -89.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -1382.698862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1382.698862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1382.698862 (E_RNA)
where:
Base-Base interactions energy: -954.456
where: short stacking energy: -405.798
Base-Backbone interact. energy: -2.446
local terms energy: -425.796640
where:
bonds (distance) C4'-P energy: -82.806
bonds (distance) P-C4' energy: -92.785
flat angles C4'-P-C4' energy: -97.180
flat angles P-C4'-P energy: -63.899
tors. eta vs tors. theta energy: -89.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -1075.955933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.955933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.955933 (E_RNA)
where:
Base-Base interactions energy: -701.489
where: short stacking energy: -327.044
Base-Backbone interact. energy: 0.423
local terms energy: -374.890189
where:
bonds (distance) C4'-P energy: -83.847
bonds (distance) P-C4' energy: -82.630
flat angles C4'-P-C4' energy: -88.347
flat angles P-C4'-P energy: -58.750
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: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -733.921480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -733.921480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -733.921480 (E_RNA)
where:
Base-Base interactions energy: -422.211
where: short stacking energy: -202.075
Base-Backbone interact. energy: 3.121
local terms energy: -314.832175
where:
bonds (distance) C4'-P energy: -84.050
bonds (distance) P-C4' energy: -83.019
flat angles C4'-P-C4' energy: -82.889
flat angles P-C4'-P energy: -35.505
tors. eta vs tors. theta energy: -29.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -1917.645036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.645036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.645036 (E_RNA)
where:
Base-Base interactions energy: -1362.035
where: short stacking energy: -553.017
Base-Backbone interact. energy: 0.062
local terms energy: -555.671904
where:
bonds (distance) C4'-P energy: -99.173
bonds (distance) P-C4' energy: -98.001
flat angles C4'-P-C4' energy: -121.002
flat angles P-C4'-P energy: -90.527
tors. eta vs tors. theta energy: -146.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -1881.992087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.992087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.992087 (E_RNA)
where:
Base-Base interactions energy: -1354.447
where: short stacking energy: -546.440
Base-Backbone interact. energy: -3.159
local terms energy: -524.386461
where:
bonds (distance) C4'-P energy: -91.554
bonds (distance) P-C4' energy: -100.708
flat angles C4'-P-C4' energy: -109.213
flat angles P-C4'-P energy: -75.276
tors. eta vs tors. theta energy: -147.636
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: 3
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -1798.630497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.630497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.630497 (E_RNA)
where:
Base-Base interactions energy: -1253.295
where: short stacking energy: -514.869
Base-Backbone interact. energy: -1.453
local terms energy: -543.882456
where:
bonds (distance) C4'-P energy: -105.730
bonds (distance) P-C4' energy: -104.462
flat angles C4'-P-C4' energy: -111.234
flat angles P-C4'-P energy: -80.393
tors. eta vs tors. theta energy: -142.063
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: 8
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -1734.992720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.992720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.992720 (E_RNA)
where:
Base-Base interactions energy: -1220.448
where: short stacking energy: -486.627
Base-Backbone interact. energy: 3.706
local terms energy: -518.250820
where:
bonds (distance) C4'-P energy: -88.403
bonds (distance) P-C4' energy: -101.416
flat angles C4'-P-C4' energy: -101.211
flat angles P-C4'-P energy: -84.645
tors. eta vs tors. theta energy: -142.575
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: 4
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -1671.382734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.382734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.382734 (E_RNA)
where:
Base-Base interactions energy: -1183.248
where: short stacking energy: -489.122
Base-Backbone interact. energy: -1.497
local terms energy: -486.636989
where:
bonds (distance) C4'-P energy: -78.129
bonds (distance) P-C4' energy: -98.251
flat angles C4'-P-C4' energy: -105.509
flat angles P-C4'-P energy: -68.865
tors. eta vs tors. theta energy: -135.883
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: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -1488.244468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.244468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.244468 (E_RNA)
where:
Base-Base interactions energy: -1034.811
where: short stacking energy: -441.603
Base-Backbone interact. energy: -1.726
local terms energy: -451.707326
where:
bonds (distance) C4'-P energy: -90.503
bonds (distance) P-C4' energy: -95.305
flat angles C4'-P-C4' energy: -95.205
flat angles P-C4'-P energy: -68.958
tors. eta vs tors. theta energy: -101.735
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: 7, replica: 9
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -1349.638001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1349.638001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1349.638001 (E_RNA)
where:
Base-Base interactions energy: -937.126
where: short stacking energy: -386.594
Base-Backbone interact. energy: -1.285
local terms energy: -411.227158
where:
bonds (distance) C4'-P energy: -74.401
bonds (distance) P-C4' energy: -98.723
flat angles C4'-P-C4' energy: -92.751
flat angles P-C4'-P energy: -56.593
tors. eta vs tors. theta energy: -88.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -1391.255040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1391.255040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1391.255040 (E_RNA)
where:
Base-Base interactions energy: -964.816
where: short stacking energy: -416.694
Base-Backbone interact. energy: -2.315
local terms energy: -424.124540
where:
bonds (distance) C4'-P energy: -81.296
bonds (distance) P-C4' energy: -86.007
flat angles C4'-P-C4' energy: -103.944
flat angles P-C4'-P energy: -59.300
tors. eta vs tors. theta energy: -93.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -1088.124401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1088.124401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1088.124401 (E_RNA)
where:
Base-Base interactions energy: -710.728
where: short stacking energy: -326.195
Base-Backbone interact. energy: -2.113
local terms energy: -375.282857
where:
bonds (distance) C4'-P energy: -93.920
bonds (distance) P-C4' energy: -78.593
flat angles C4'-P-C4' energy: -86.635
flat angles P-C4'-P energy: -52.511
tors. eta vs tors. theta energy: -63.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -754.123490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.123490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.123490 (E_RNA)
where:
Base-Base interactions energy: -451.752
where: short stacking energy: -219.926
Base-Backbone interact. energy: -0.284
local terms energy: -302.086985
where:
bonds (distance) C4'-P energy: -74.582
bonds (distance) P-C4' energy: -88.569
flat angles C4'-P-C4' energy: -84.386
flat angles P-C4'-P energy: -44.833
tors. eta vs tors. theta energy: -9.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -1926.450187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1926.450187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1926.450187 (E_RNA)
where:
Base-Base interactions energy: -1360.423
where: short stacking energy: -552.193
Base-Backbone interact. energy: -3.009
local terms energy: -563.018339
where:
bonds (distance) C4'-P energy: -99.565
bonds (distance) P-C4' energy: -111.717
flat angles C4'-P-C4' energy: -128.199
flat angles P-C4'-P energy: -80.085
tors. eta vs tors. theta energy: -143.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -1880.955788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.955788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.955788 (E_RNA)
where:
Base-Base interactions energy: -1329.561
where: short stacking energy: -536.688
Base-Backbone interact. energy: -1.979
local terms energy: -549.415450
where:
bonds (distance) C4'-P energy: -98.449
bonds (distance) P-C4' energy: -103.555
flat angles C4'-P-C4' energy: -115.184
flat angles P-C4'-P energy: -84.265
tors. eta vs tors. theta energy: -147.962
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: 3
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -1768.252668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.252668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.252668 (E_RNA)
where:
Base-Base interactions energy: -1259.755
where: short stacking energy: -491.373
Base-Backbone interact. energy: -1.942
local terms energy: -506.555690
where:
bonds (distance) C4'-P energy: -83.929
bonds (distance) P-C4' energy: -100.336
flat angles C4'-P-C4' energy: -114.505
flat angles P-C4'-P energy: -69.399
tors. eta vs tors. theta energy: -138.386
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: 8
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -1760.189479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.189479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.189479 (E_RNA)
where:
Base-Base interactions energy: -1249.348
where: short stacking energy: -483.517
Base-Backbone interact. energy: -3.835
local terms energy: -507.006392
where:
bonds (distance) C4'-P energy: -81.113
bonds (distance) P-C4' energy: -111.240
flat angles C4'-P-C4' energy: -101.192
flat angles P-C4'-P energy: -82.150
tors. eta vs tors. theta energy: -131.311
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: 4
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -1674.526687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1674.526687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1674.526687 (E_RNA)
where:
Base-Base interactions energy: -1203.215
where: short stacking energy: -508.290
Base-Backbone interact. energy: -0.127
local terms energy: -471.184618
where:
bonds (distance) C4'-P energy: -87.545
bonds (distance) P-C4' energy: -82.821
flat angles C4'-P-C4' energy: -103.440
flat angles P-C4'-P energy: -58.877
tors. eta vs tors. theta energy: -138.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -1490.690363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.690363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.690363 (E_RNA)
where:
Base-Base interactions energy: -1050.100
where: short stacking energy: -429.806
Base-Backbone interact. energy: -0.082
local terms energy: -440.508397
where:
bonds (distance) C4'-P energy: -79.640
bonds (distance) P-C4' energy: -83.575
flat angles C4'-P-C4' energy: -98.556
flat angles P-C4'-P energy: -74.333
tors. eta vs tors. theta energy: -104.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -1328.748862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1328.748862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1328.748862 (E_RNA)
where:
Base-Base interactions energy: -892.631
where: short stacking energy: -374.143
Base-Backbone interact. energy: 4.151
local terms energy: -440.269071
where:
bonds (distance) C4'-P energy: -88.853
bonds (distance) P-C4' energy: -86.966
flat angles C4'-P-C4' energy: -106.599
flat angles P-C4'-P energy: -63.129
tors. eta vs tors. theta energy: -94.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -1346.624887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.624887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.624887 (E_RNA)
where:
Base-Base interactions energy: -920.832
where: short stacking energy: -383.332
Base-Backbone interact. energy: -1.532
local terms energy: -424.260495
where:
bonds (distance) C4'-P energy: -82.365
bonds (distance) P-C4' energy: -87.065
flat angles C4'-P-C4' energy: -93.593
flat angles P-C4'-P energy: -65.213
tors. eta vs tors. theta energy: -96.024
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: 5
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -1094.728136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1094.728136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1094.728136 (E_RNA)
where:
Base-Base interactions energy: -733.572
where: short stacking energy: -310.191
Base-Backbone interact. energy: -1.325
local terms energy: -359.831250
where:
bonds (distance) C4'-P energy: -72.217
bonds (distance) P-C4' energy: -87.824
flat angles C4'-P-C4' energy: -92.888
flat angles P-C4'-P energy: -39.233
tors. eta vs tors. theta energy: -67.669
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: 10
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -814.860679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.860679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.860679 (E_RNA)
where:
Base-Base interactions energy: -500.887
where: short stacking energy: -246.854
Base-Backbone interact. energy: 4.005
local terms energy: -317.978265
where:
bonds (distance) C4'-P energy: -76.763
bonds (distance) P-C4' energy: -91.790
flat angles C4'-P-C4' energy: -90.248
flat angles P-C4'-P energy: -32.371
tors. eta vs tors. theta energy: -26.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -1949.919281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1949.919281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1949.919281 (E_RNA)
where:
Base-Base interactions energy: -1370.264
where: short stacking energy: -542.837
Base-Backbone interact. energy: -0.722
local terms energy: -578.933358
where:
bonds (distance) C4'-P energy: -109.518
bonds (distance) P-C4' energy: -109.011
flat angles C4'-P-C4' energy: -123.506
flat angles P-C4'-P energy: -80.930
tors. eta vs tors. theta energy: -155.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -1879.398833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1879.398833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1879.398833 (E_RNA)
where:
Base-Base interactions energy: -1353.158
where: short stacking energy: -569.954
Base-Backbone interact. energy: 1.915
local terms energy: -528.155447
where:
bonds (distance) C4'-P energy: -87.198
bonds (distance) P-C4' energy: -101.586
flat angles C4'-P-C4' energy: -118.704
flat angles P-C4'-P energy: -68.928
tors. eta vs tors. theta energy: -151.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -1801.654154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.654154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.654154 (E_RNA)
where:
Base-Base interactions energy: -1271.068
where: short stacking energy: -516.037
Base-Backbone interact. energy: -2.352
local terms energy: -528.233839
where:
bonds (distance) C4'-P energy: -83.489
bonds (distance) P-C4' energy: -108.112
flat angles C4'-P-C4' energy: -114.230
flat angles P-C4'-P energy: -77.420
tors. eta vs tors. theta energy: -144.983
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: 8
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -1743.095368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.095368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.095368 (E_RNA)
where:
Base-Base interactions energy: -1256.195
where: short stacking energy: -502.286
Base-Backbone interact. energy: -2.615
local terms energy: -484.285812
where:
bonds (distance) C4'-P energy: -76.141
bonds (distance) P-C4' energy: -90.548
flat angles C4'-P-C4' energy: -107.198
flat angles P-C4'-P energy: -76.556
tors. eta vs tors. theta energy: -133.842
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: 5, replica: 4
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -1679.213239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.213239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.213239 (E_RNA)
where:
Base-Base interactions energy: -1209.693
where: short stacking energy: -515.186
Base-Backbone interact. energy: -1.934
local terms energy: -467.586359
where:
bonds (distance) C4'-P energy: -85.775
bonds (distance) P-C4' energy: -78.634
flat angles C4'-P-C4' energy: -104.124
flat angles P-C4'-P energy: -58.765
tors. eta vs tors. theta energy: -140.288
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: 7
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -1481.087478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.087478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.087478 (E_RNA)
where:
Base-Base interactions energy: -1032.089
where: short stacking energy: -434.600
Base-Backbone interact. energy: -2.674
local terms energy: -446.324589
where:
bonds (distance) C4'-P energy: -79.651
bonds (distance) P-C4' energy: -80.016
flat angles C4'-P-C4' energy: -104.664
flat angles P-C4'-P energy: -72.345
tors. eta vs tors. theta energy: -109.648
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: 9
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -1316.447003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.447003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.447003 (E_RNA)
where:
Base-Base interactions energy: -876.752
where: short stacking energy: -388.673
Base-Backbone interact. energy: -4.843
local terms energy: -434.851970
where:
bonds (distance) C4'-P energy: -69.107
bonds (distance) P-C4' energy: -101.474
flat angles C4'-P-C4' energy: -111.235
flat angles P-C4'-P energy: -55.680
tors. eta vs tors. theta energy: -97.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -1350.117096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1350.117096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1350.117096 (E_RNA)
where:
Base-Base interactions energy: -934.437
where: short stacking energy: -384.952
Base-Backbone interact. energy: -2.108
local terms energy: -413.571597
where:
bonds (distance) C4'-P energy: -68.862
bonds (distance) P-C4' energy: -103.313
flat angles C4'-P-C4' energy: -97.451
flat angles P-C4'-P energy: -44.635
tors. eta vs tors. theta energy: -99.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -1130.410168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.410168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.410168 (E_RNA)
where:
Base-Base interactions energy: -745.210
where: short stacking energy: -311.649
Base-Backbone interact. energy: -0.964
local terms energy: -384.236234
where:
bonds (distance) C4'-P energy: -86.209
bonds (distance) P-C4' energy: -90.420
flat angles C4'-P-C4' energy: -95.061
flat angles P-C4'-P energy: -46.618
tors. eta vs tors. theta energy: -65.929
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: 10, replica: 10
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -731.503778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -731.503778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -731.503778 (E_RNA)
where:
Base-Base interactions energy: -402.512
where: short stacking energy: -202.926
Base-Backbone interact. energy: 0.647
local terms energy: -329.638604
where:
bonds (distance) C4'-P energy: -88.079
bonds (distance) P-C4' energy: -95.044
flat angles C4'-P-C4' energy: -79.022
flat angles P-C4'-P energy: -42.032
tors. eta vs tors. theta energy: -25.461
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: 1
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -1908.940993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1908.940993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1908.940993 (E_RNA)
where:
Base-Base interactions energy: -1344.696
where: short stacking energy: -554.942
Base-Backbone interact. energy: -1.295
local terms energy: -562.949383
where:
bonds (distance) C4'-P energy: -101.696
bonds (distance) P-C4' energy: -100.580
flat angles C4'-P-C4' energy: -127.206
flat angles P-C4'-P energy: -79.691
tors. eta vs tors. theta energy: -153.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -1855.451688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.451688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.451688 (E_RNA)
where:
Base-Base interactions energy: -1289.782
where: short stacking energy: -547.970
Base-Backbone interact. energy: 1.205
local terms energy: -566.874233
where:
bonds (distance) C4'-P energy: -107.131
bonds (distance) P-C4' energy: -94.446
flat angles C4'-P-C4' energy: -123.643
flat angles P-C4'-P energy: -83.461
tors. eta vs tors. theta energy: -158.193
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: 3
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -1800.708833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1800.708833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1800.708833 (E_RNA)
where:
Base-Base interactions energy: -1274.827
where: short stacking energy: -524.240
Base-Backbone interact. energy: 1.978
local terms energy: -527.860559
where:
bonds (distance) C4'-P energy: -85.796
bonds (distance) P-C4' energy: -96.422
flat angles C4'-P-C4' energy: -119.092
flat angles P-C4'-P energy: -86.983
tors. eta vs tors. theta energy: -139.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -1731.189236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.189236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.189236 (E_RNA)
where:
Base-Base interactions energy: -1212.384
where: short stacking energy: -516.141
Base-Backbone interact. energy: -2.188
local terms energy: -516.617488
where:
bonds (distance) C4'-P energy: -97.938
bonds (distance) P-C4' energy: -94.172
flat angles C4'-P-C4' energy: -110.442
flat angles P-C4'-P energy: -69.492
tors. eta vs tors. theta energy: -144.572
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: 4
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -1650.210681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.210681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.210681 (E_RNA)
where:
Base-Base interactions energy: -1162.630
where: short stacking energy: -456.050
Base-Backbone interact. energy: -0.604
local terms energy: -486.976879
where:
bonds (distance) C4'-P energy: -96.288
bonds (distance) P-C4' energy: -98.356
flat angles C4'-P-C4' energy: -101.379
flat angles P-C4'-P energy: -64.538
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: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -1505.448551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1505.448551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1505.448551 (E_RNA)
where:
Base-Base interactions energy: -1031.224
where: short stacking energy: -437.080
Base-Backbone interact. energy: -3.122
local terms energy: -471.101828
where:
bonds (distance) C4'-P energy: -81.913
bonds (distance) P-C4' energy: -99.350
flat angles C4'-P-C4' energy: -115.092
flat angles P-C4'-P energy: -72.937
tors. eta vs tors. theta energy: -101.810
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: 9
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -1274.622251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.622251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.622251 (E_RNA)
where:
Base-Base interactions energy: -865.441
where: short stacking energy: -359.706
Base-Backbone interact. energy: -1.421
local terms energy: -407.760443
where:
bonds (distance) C4'-P energy: -86.553
bonds (distance) P-C4' energy: -83.718
flat angles C4'-P-C4' energy: -95.846
flat angles P-C4'-P energy: -67.247
tors. eta vs tors. theta energy: -74.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -1258.039510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1258.039510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1258.039510 (E_RNA)
where:
Base-Base interactions energy: -859.576
where: short stacking energy: -377.032
Base-Backbone interact. energy: 0.802
local terms energy: -399.265976
where:
bonds (distance) C4'-P energy: -87.833
bonds (distance) P-C4' energy: -75.657
flat angles C4'-P-C4' energy: -98.458
flat angles P-C4'-P energy: -56.381
tors. eta vs tors. theta energy: -80.936
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: 5
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -1044.236054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.236054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.236054 (E_RNA)
where:
Base-Base interactions energy: -677.277
where: short stacking energy: -302.726
Base-Backbone interact. energy: -2.191
local terms energy: -364.768468
where:
bonds (distance) C4'-P energy: -77.280
bonds (distance) P-C4' energy: -88.872
flat angles C4'-P-C4' energy: -87.639
flat angles P-C4'-P energy: -60.293
tors. eta vs tors. theta energy: -50.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -726.883724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -726.883724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -726.883724 (E_RNA)
where:
Base-Base interactions energy: -441.977
where: short stacking energy: -231.052
Base-Backbone interact. energy: 4.021
local terms energy: -288.927281
where:
bonds (distance) C4'-P energy: -77.219
bonds (distance) P-C4' energy: -64.444
flat angles C4'-P-C4' energy: -68.889
flat angles P-C4'-P energy: -52.829
tors. eta vs tors. theta energy: -25.546
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: 1, replica: 1
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -1910.002288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1910.002288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1910.002288 (E_RNA)
where:
Base-Base interactions energy: -1344.383
where: short stacking energy: -546.731
Base-Backbone interact. energy: 1.246
local terms energy: -566.865539
where:
bonds (distance) C4'-P energy: -103.558
bonds (distance) P-C4' energy: -105.994
flat angles C4'-P-C4' energy: -129.226
flat angles P-C4'-P energy: -75.761
tors. eta vs tors. theta energy: -152.326
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: 419
Temperature: 0.950000
Total energy: -1846.487018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.487018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.487018 (E_RNA)
where:
Base-Base interactions energy: -1306.709
where: short stacking energy: -550.169
Base-Backbone interact. energy: -1.061
local terms energy: -538.716193
where:
bonds (distance) C4'-P energy: -101.578
bonds (distance) P-C4' energy: -93.884
flat angles C4'-P-C4' energy: -113.428
flat angles P-C4'-P energy: -82.029
tors. eta vs tors. theta energy: -147.798
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: 3
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -1795.834668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1795.834668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1795.834668 (E_RNA)
where:
Base-Base interactions energy: -1267.975
where: short stacking energy: -532.837
Base-Backbone interact. energy: -0.807
local terms energy: -527.052221
where:
bonds (distance) C4'-P energy: -96.173
bonds (distance) P-C4' energy: -85.684
flat angles C4'-P-C4' energy: -119.325
flat angles P-C4'-P energy: -78.675
tors. eta vs tors. theta energy: -147.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -1752.988226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1752.988226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1752.988226 (E_RNA)
where:
Base-Base interactions energy: -1227.194
where: short stacking energy: -492.326
Base-Backbone interact. energy: -2.760
local terms energy: -523.034416
where:
bonds (distance) C4'-P energy: -99.341
bonds (distance) P-C4' energy: -104.325
flat angles C4'-P-C4' energy: -108.825
flat angles P-C4'-P energy: -64.836
tors. eta vs tors. theta energy: -145.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -1669.303988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.303988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.303988 (E_RNA)
where:
Base-Base interactions energy: -1170.953
where: short stacking energy: -494.779
Base-Backbone interact. energy: -2.387
local terms energy: -495.964024
where:
bonds (distance) C4'-P energy: -82.013
bonds (distance) P-C4' energy: -92.516
flat angles C4'-P-C4' energy: -113.139
flat angles P-C4'-P energy: -70.455
tors. eta vs tors. theta energy: -137.841
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: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -1463.129702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1463.129702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1463.129702 (E_RNA)
where:
Base-Base interactions energy: -1014.483
where: short stacking energy: -422.449
Base-Backbone interact. energy: -1.711
local terms energy: -446.936072
where:
bonds (distance) C4'-P energy: -86.813
bonds (distance) P-C4' energy: -91.719
flat angles C4'-P-C4' energy: -109.785
flat angles P-C4'-P energy: -61.346
tors. eta vs tors. theta energy: -97.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -1312.130668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.130668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.130668 (E_RNA)
where:
Base-Base interactions energy: -909.189
where: short stacking energy: -402.121
Base-Backbone interact. energy: -2.242
local terms energy: -400.700019
where:
bonds (distance) C4'-P energy: -88.112
bonds (distance) P-C4' energy: -89.171
flat angles C4'-P-C4' energy: -89.128
flat angles P-C4'-P energy: -60.150
tors. eta vs tors. theta energy: -74.139
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: 419
Temperature: 1.250000
Total energy: -1291.323705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.323705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.323705 (E_RNA)
where:
Base-Base interactions energy: -887.996
where: short stacking energy: -375.773
Base-Backbone interact. energy: -0.102
local terms energy: -403.225073
where:
bonds (distance) C4'-P energy: -79.998
bonds (distance) P-C4' energy: -83.388
flat angles C4'-P-C4' energy: -91.045
flat angles P-C4'-P energy: -55.685
tors. eta vs tors. theta energy: -93.110
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: 5
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -1098.586599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1098.586599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1098.586599 (E_RNA)
where:
Base-Base interactions energy: -735.951
where: short stacking energy: -326.940
Base-Backbone interact. energy: -3.470
local terms energy: -359.165249
where:
bonds (distance) C4'-P energy: -60.419
bonds (distance) P-C4' energy: -68.220
flat angles C4'-P-C4' energy: -100.387
flat angles P-C4'-P energy: -58.212
tors. eta vs tors. theta energy: -71.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -679.503042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -679.503042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -679.503042 (E_RNA)
where:
Base-Base interactions energy: -391.780
where: short stacking energy: -188.925
Base-Backbone interact. energy: -0.770
local terms energy: -286.952848
where:
bonds (distance) C4'-P energy: -69.270
bonds (distance) P-C4' energy: -90.150
flat angles C4'-P-C4' energy: -87.078
flat angles P-C4'-P energy: -36.074
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -1930.311245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.311245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.311245 (E_RNA)
where:
Base-Base interactions energy: -1372.275
where: short stacking energy: -559.181
Base-Backbone interact. energy: 6.353
local terms energy: -564.388887
where:
bonds (distance) C4'-P energy: -109.716
bonds (distance) P-C4' energy: -105.491
flat angles C4'-P-C4' energy: -117.110
flat angles P-C4'-P energy: -76.576
tors. eta vs tors. theta energy: -155.495
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: 420
Temperature: 0.950000
Total energy: -1868.999426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1868.999426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1868.999426 (E_RNA)
where:
Base-Base interactions energy: -1303.758
where: short stacking energy: -549.795
Base-Backbone interact. energy: 2.701
local terms energy: -567.942803
where:
bonds (distance) C4'-P energy: -107.555
bonds (distance) P-C4' energy: -102.976
flat angles C4'-P-C4' energy: -110.941
flat angles P-C4'-P energy: -89.691
tors. eta vs tors. theta energy: -156.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -1804.690799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1804.690799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1804.690799 (E_RNA)
where:
Base-Base interactions energy: -1267.361
where: short stacking energy: -526.498
Base-Backbone interact. energy: -3.458
local terms energy: -533.871268
where:
bonds (distance) C4'-P energy: -95.172
bonds (distance) P-C4' energy: -96.894
flat angles C4'-P-C4' energy: -109.543
flat angles P-C4'-P energy: -89.670
tors. eta vs tors. theta energy: -142.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -1699.786105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1699.786105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1699.786105 (E_RNA)
where:
Base-Base interactions energy: -1181.690
where: short stacking energy: -494.150
Base-Backbone interact. energy: -2.674
local terms energy: -515.422720
where:
bonds (distance) C4'-P energy: -95.948
bonds (distance) P-C4' energy: -97.119
flat angles C4'-P-C4' energy: -113.292
flat angles P-C4'-P energy: -78.141
tors. eta vs tors. theta energy: -130.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -1693.749828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.749828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.749828 (E_RNA)
where:
Base-Base interactions energy: -1176.398
where: short stacking energy: -482.438
Base-Backbone interact. energy: -2.594
local terms energy: -514.758419
where:
bonds (distance) C4'-P energy: -92.129
bonds (distance) P-C4' energy: -96.945
flat angles C4'-P-C4' energy: -102.865
flat angles P-C4'-P energy: -83.613
tors. eta vs tors. theta energy: -139.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -1499.450610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1499.450610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1499.450610 (E_RNA)
where:
Base-Base interactions energy: -1032.488
where: short stacking energy: -452.116
Base-Backbone interact. energy: 1.988
local terms energy: -468.950293
where:
bonds (distance) C4'-P energy: -86.260
bonds (distance) P-C4' energy: -102.009
flat angles C4'-P-C4' energy: -99.545
flat angles P-C4'-P energy: -73.223
tors. eta vs tors. theta energy: -107.913
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: 6
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -1368.456933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1368.456933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1368.456933 (E_RNA)
where:
Base-Base interactions energy: -947.622
where: short stacking energy: -390.685
Base-Backbone interact. energy: -1.467
local terms energy: -419.367894
where:
bonds (distance) C4'-P energy: -85.264
bonds (distance) P-C4' energy: -94.317
flat angles C4'-P-C4' energy: -101.811
flat angles P-C4'-P energy: -51.060
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: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -1268.178725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1268.178725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1268.178725 (E_RNA)
where:
Base-Base interactions energy: -859.087
where: short stacking energy: -374.804
Base-Backbone interact. energy: -2.023
local terms energy: -407.068451
where:
bonds (distance) C4'-P energy: -73.930
bonds (distance) P-C4' energy: -93.262
flat angles C4'-P-C4' energy: -94.933
flat angles P-C4'-P energy: -58.875
tors. eta vs tors. theta energy: -86.069
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: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -1054.069531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.069531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.069531 (E_RNA)
where:
Base-Base interactions energy: -706.631
where: short stacking energy: -303.583
Base-Backbone interact. energy: -1.219
local terms energy: -346.220286
where:
bonds (distance) C4'-P energy: -89.188
bonds (distance) P-C4' energy: -80.393
flat angles C4'-P-C4' energy: -75.945
flat angles P-C4'-P energy: -46.998
tors. eta vs tors. theta energy: -53.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -743.885268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -743.885268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -743.885268 (E_RNA)
where:
Base-Base interactions energy: -413.729
where: short stacking energy: -198.208
Base-Backbone interact. energy: -2.186
local terms energy: -327.970966
where:
bonds (distance) C4'-P energy: -93.950
bonds (distance) P-C4' energy: -80.709
flat angles C4'-P-C4' energy: -87.144
flat angles P-C4'-P energy: -54.227
tors. eta vs tors. theta energy: -11.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -1929.794232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.794232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.794232 (E_RNA)
where:
Base-Base interactions energy: -1392.476
where: short stacking energy: -551.447
Base-Backbone interact. energy: -2.795
local terms energy: -534.522903
where:
bonds (distance) C4'-P energy: -91.111
bonds (distance) P-C4' energy: -98.315
flat angles C4'-P-C4' energy: -109.891
flat angles P-C4'-P energy: -80.183
tors. eta vs tors. theta energy: -155.023
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: 2, replica: 2
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -1860.281730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1860.281730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1860.281730 (E_RNA)
where:
Base-Base interactions energy: -1300.860
where: short stacking energy: -546.815
Base-Backbone interact. energy: -1.707
local terms energy: -557.714879
where:
bonds (distance) C4'-P energy: -97.392
bonds (distance) P-C4' energy: -108.897
flat angles C4'-P-C4' energy: -119.444
flat angles P-C4'-P energy: -79.798
tors. eta vs tors. theta energy: -152.184
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: 3
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -1807.472706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1807.472706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1807.472706 (E_RNA)
where:
Base-Base interactions energy: -1297.434
where: short stacking energy: -531.028
Base-Backbone interact. energy: -1.243
local terms energy: -508.795377
where:
bonds (distance) C4'-P energy: -91.553
bonds (distance) P-C4' energy: -80.196
flat angles C4'-P-C4' energy: -108.972
flat angles P-C4'-P energy: -79.790
tors. eta vs tors. theta energy: -148.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -1710.168508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1710.168508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1710.168508 (E_RNA)
where:
Base-Base interactions energy: -1212.351
where: short stacking energy: -497.443
Base-Backbone interact. energy: 1.294
local terms energy: -499.111526
where:
bonds (distance) C4'-P energy: -91.451
bonds (distance) P-C4' energy: -90.817
flat angles C4'-P-C4' energy: -99.122
flat angles P-C4'-P energy: -82.142
tors. eta vs tors. theta energy: -135.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -1686.070968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.070968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.070968 (E_RNA)
where:
Base-Base interactions energy: -1192.293
where: short stacking energy: -493.240
Base-Backbone interact. energy: -3.321
local terms energy: -490.456727
where:
bonds (distance) C4'-P energy: -82.876
bonds (distance) P-C4' energy: -102.523
flat angles C4'-P-C4' energy: -100.948
flat angles P-C4'-P energy: -70.139
tors. eta vs tors. theta energy: -133.971
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: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -1480.269746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1480.269746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1480.269746 (E_RNA)
where:
Base-Base interactions energy: -1023.916
where: short stacking energy: -437.506
Base-Backbone interact. energy: -0.135
local terms energy: -456.218419
where:
bonds (distance) C4'-P energy: -79.104
bonds (distance) P-C4' energy: -92.338
flat angles C4'-P-C4' energy: -99.432
flat angles P-C4'-P energy: -78.794
tors. eta vs tors. theta energy: -106.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -1342.480002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1342.480002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1342.480002 (E_RNA)
where:
Base-Base interactions energy: -942.906
where: short stacking energy: -380.072
Base-Backbone interact. energy: -0.151
local terms energy: -399.422760
where:
bonds (distance) C4'-P energy: -75.251
bonds (distance) P-C4' energy: -83.360
flat angles C4'-P-C4' energy: -100.884
flat angles P-C4'-P energy: -48.444
tors. eta vs tors. theta energy: -91.485
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: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -1259.790327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1259.790327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1259.790327 (E_RNA)
where:
Base-Base interactions energy: -863.603
where: short stacking energy: -368.865
Base-Backbone interact. energy: -2.033
local terms energy: -394.154729
where:
bonds (distance) C4'-P energy: -69.616
bonds (distance) P-C4' energy: -91.370
flat angles C4'-P-C4' energy: -94.267
flat angles P-C4'-P energy: -53.554
tors. eta vs tors. theta energy: -85.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -1024.533184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1024.533184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1024.533184 (E_RNA)
where:
Base-Base interactions energy: -659.988
where: short stacking energy: -278.443
Base-Backbone interact. energy: -2.514
local terms energy: -362.030550
where:
bonds (distance) C4'-P energy: -79.709
bonds (distance) P-C4' energy: -75.441
flat angles C4'-P-C4' energy: -91.474
flat angles P-C4'-P energy: -56.239
tors. eta vs tors. theta energy: -59.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -715.588771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.588771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.588771 (E_RNA)
where:
Base-Base interactions energy: -414.444
where: short stacking energy: -215.431
Base-Backbone interact. energy: 0.477
local terms energy: -301.621987
where:
bonds (distance) C4'-P energy: -80.655
bonds (distance) P-C4' energy: -80.103
flat angles C4'-P-C4' energy: -74.800
flat angles P-C4'-P energy: -51.934
tors. eta vs tors. theta energy: -14.130
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: 1
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -1928.630166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.630166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.630166 (E_RNA)
where:
Base-Base interactions energy: -1374.326
where: short stacking energy: -562.156
Base-Backbone interact. energy: 0.485
local terms energy: -554.789304
where:
bonds (distance) C4'-P energy: -96.843
bonds (distance) P-C4' energy: -100.428
flat angles C4'-P-C4' energy: -119.206
flat angles P-C4'-P energy: -79.193
tors. eta vs tors. theta energy: -159.119
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: 422
Temperature: 0.950000
Total energy: -1880.729074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.729074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.729074 (E_RNA)
where:
Base-Base interactions energy: -1336.088
where: short stacking energy: -572.467
Base-Backbone interact. energy: -3.156
local terms energy: -541.484804
where:
bonds (distance) C4'-P energy: -91.270
bonds (distance) P-C4' energy: -105.657
flat angles C4'-P-C4' energy: -113.410
flat angles P-C4'-P energy: -77.145
tors. eta vs tors. theta energy: -154.004
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: 3
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -1787.019112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1787.019112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1787.019112 (E_RNA)
where:
Base-Base interactions energy: -1271.032
where: short stacking energy: -506.843
Base-Backbone interact. energy: 0.556
local terms energy: -516.543704
where:
bonds (distance) C4'-P energy: -94.308
bonds (distance) P-C4' energy: -99.170
flat angles C4'-P-C4' energy: -117.802
flat angles P-C4'-P energy: -69.135
tors. eta vs tors. theta energy: -136.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -1704.805844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.805844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.805844 (E_RNA)
where:
Base-Base interactions energy: -1203.626
where: short stacking energy: -489.548
Base-Backbone interact. energy: -2.473
local terms energy: -498.707126
where:
bonds (distance) C4'-P energy: -99.497
bonds (distance) P-C4' energy: -91.761
flat angles C4'-P-C4' energy: -96.589
flat angles P-C4'-P energy: -75.518
tors. eta vs tors. theta energy: -135.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -1654.239817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1654.239817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1654.239817 (E_RNA)
where:
Base-Base interactions energy: -1179.348
where: short stacking energy: -480.488
Base-Backbone interact. energy: -0.895
local terms energy: -473.996868
where:
bonds (distance) C4'-P energy: -82.471
bonds (distance) P-C4' energy: -99.582
flat angles C4'-P-C4' energy: -103.175
flat angles P-C4'-P energy: -65.061
tors. eta vs tors. theta energy: -123.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -1494.554647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.554647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.554647 (E_RNA)
where:
Base-Base interactions energy: -1020.907
where: short stacking energy: -432.683
Base-Backbone interact. energy: -2.380
local terms energy: -471.267573
where:
bonds (distance) C4'-P energy: -89.468
bonds (distance) P-C4' energy: -96.590
flat angles C4'-P-C4' energy: -103.261
flat angles P-C4'-P energy: -63.270
tors. eta vs tors. theta energy: -118.679
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: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -1369.126366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.126366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.126366 (E_RNA)
where:
Base-Base interactions energy: -947.316
where: short stacking energy: -384.885
Base-Backbone interact. energy: -1.446
local terms energy: -420.364908
where:
bonds (distance) C4'-P energy: -83.198
bonds (distance) P-C4' energy: -96.641
flat angles C4'-P-C4' energy: -106.854
flat angles P-C4'-P energy: -48.494
tors. eta vs tors. theta energy: -85.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -1253.359469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1253.359469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1253.359469 (E_RNA)
where:
Base-Base interactions energy: -829.735
where: short stacking energy: -361.487
Base-Backbone interact. energy: -0.240
local terms energy: -423.384107
where:
bonds (distance) C4'-P energy: -85.150
bonds (distance) P-C4' energy: -93.955
flat angles C4'-P-C4' energy: -96.363
flat angles P-C4'-P energy: -65.667
tors. eta vs tors. theta energy: -82.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -1047.034572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1047.034572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1047.034572 (E_RNA)
where:
Base-Base interactions energy: -699.268
where: short stacking energy: -294.869
Base-Backbone interact. energy: -0.240
local terms energy: -347.527240
where:
bonds (distance) C4'-P energy: -63.926
bonds (distance) P-C4' energy: -83.794
flat angles C4'-P-C4' energy: -88.577
flat angles P-C4'-P energy: -58.460
tors. eta vs tors. theta energy: -52.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -688.378117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -688.378117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -688.378117 (E_RNA)
where:
Base-Base interactions energy: -372.053
where: short stacking energy: -200.571
Base-Backbone interact. energy: 3.544
local terms energy: -319.869308
where:
bonds (distance) C4'-P energy: -73.284
bonds (distance) P-C4' energy: -79.072
flat angles C4'-P-C4' energy: -90.282
flat angles P-C4'-P energy: -49.357
tors. eta vs tors. theta energy: -27.875
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: 1
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -1893.105710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.105710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.105710 (E_RNA)
where:
Base-Base interactions energy: -1341.849
where: short stacking energy: -523.055
Base-Backbone interact. energy: -1.111
local terms energy: -550.145933
where:
bonds (distance) C4'-P energy: -103.029
bonds (distance) P-C4' energy: -102.283
flat angles C4'-P-C4' energy: -110.747
flat angles P-C4'-P energy: -89.072
tors. eta vs tors. theta energy: -145.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -1880.732342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.732342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.732342 (E_RNA)
where:
Base-Base interactions energy: -1323.488
where: short stacking energy: -551.948
Base-Backbone interact. energy: -2.050
local terms energy: -555.193826
where:
bonds (distance) C4'-P energy: -112.517
bonds (distance) P-C4' energy: -95.754
flat angles C4'-P-C4' energy: -113.727
flat angles P-C4'-P energy: -79.811
tors. eta vs tors. theta energy: -153.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -1798.571519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.571519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.571519 (E_RNA)
where:
Base-Base interactions energy: -1275.782
where: short stacking energy: -513.153
Base-Backbone interact. energy: -3.627
local terms energy: -519.161731
where:
bonds (distance) C4'-P energy: -91.354
bonds (distance) P-C4' energy: -100.595
flat angles C4'-P-C4' energy: -111.015
flat angles P-C4'-P energy: -75.000
tors. eta vs tors. theta energy: -141.197
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: 4
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -1722.525605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.525605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.525605 (E_RNA)
where:
Base-Base interactions energy: -1218.660
where: short stacking energy: -497.820
Base-Backbone interact. energy: -4.068
local terms energy: -499.797949
where:
bonds (distance) C4'-P energy: -87.687
bonds (distance) P-C4' energy: -96.007
flat angles C4'-P-C4' energy: -115.660
flat angles P-C4'-P energy: -74.125
tors. eta vs tors. theta energy: -126.318
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: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -1635.532052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.532052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.532052 (E_RNA)
where:
Base-Base interactions energy: -1162.556
where: short stacking energy: -454.904
Base-Backbone interact. energy: 2.775
local terms energy: -475.751685
where:
bonds (distance) C4'-P energy: -91.659
bonds (distance) P-C4' energy: -97.839
flat angles C4'-P-C4' energy: -106.967
flat angles P-C4'-P energy: -63.473
tors. eta vs tors. theta energy: -115.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -1541.162663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1541.162663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1541.162663 (E_RNA)
where:
Base-Base interactions energy: -1079.245
where: short stacking energy: -453.484
Base-Backbone interact. energy: -4.806
local terms energy: -457.111472
where:
bonds (distance) C4'-P energy: -87.309
bonds (distance) P-C4' energy: -93.459
flat angles C4'-P-C4' energy: -102.035
flat angles P-C4'-P energy: -59.581
tors. eta vs tors. theta energy: -114.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -1335.701096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.701096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.701096 (E_RNA)
where:
Base-Base interactions energy: -911.439
where: short stacking energy: -374.247
Base-Backbone interact. energy: -2.566
local terms energy: -421.696403
where:
bonds (distance) C4'-P energy: -88.268
bonds (distance) P-C4' energy: -94.255
flat angles C4'-P-C4' energy: -100.111
flat angles P-C4'-P energy: -52.033
tors. eta vs tors. theta energy: -87.029
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: 9
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -1266.178804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1266.178804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1266.178804 (E_RNA)
where:
Base-Base interactions energy: -865.878
where: short stacking energy: -359.836
Base-Backbone interact. energy: 0.658
local terms energy: -400.958906
where:
bonds (distance) C4'-P energy: -96.720
bonds (distance) P-C4' energy: -86.048
flat angles C4'-P-C4' energy: -86.597
flat angles P-C4'-P energy: -58.701
tors. eta vs tors. theta energy: -72.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -1037.666831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1037.666831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1037.666831 (E_RNA)
where:
Base-Base interactions energy: -683.639
where: short stacking energy: -307.161
Base-Backbone interact. energy: -1.767
local terms energy: -352.261104
where:
bonds (distance) C4'-P energy: -82.856
bonds (distance) P-C4' energy: -70.431
flat angles C4'-P-C4' energy: -91.767
flat angles P-C4'-P energy: -49.709
tors. eta vs tors. theta energy: -57.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -690.995226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -690.995226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -690.995226 (E_RNA)
where:
Base-Base interactions energy: -399.450
where: short stacking energy: -206.939
Base-Backbone interact. energy: 0.374
local terms energy: -291.919499
where:
bonds (distance) C4'-P energy: -85.077
bonds (distance) P-C4' energy: -78.358
flat angles C4'-P-C4' energy: -69.014
flat angles P-C4'-P energy: -42.900
tors. eta vs tors. theta energy: -16.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -1935.549659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1935.549659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1935.549659 (E_RNA)
where:
Base-Base interactions energy: -1363.804
where: short stacking energy: -552.124
Base-Backbone interact. energy: -1.940
local terms energy: -569.805837
where:
bonds (distance) C4'-P energy: -106.921
bonds (distance) P-C4' energy: -105.957
flat angles C4'-P-C4' energy: -119.182
flat angles P-C4'-P energy: -82.079
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: 2, replica: 2
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -1885.795136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.795136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.795136 (E_RNA)
where:
Base-Base interactions energy: -1337.371
where: short stacking energy: -528.897
Base-Backbone interact. energy: -1.388
local terms energy: -547.035260
where:
bonds (distance) C4'-P energy: -101.344
bonds (distance) P-C4' energy: -112.731
flat angles C4'-P-C4' energy: -103.831
flat angles P-C4'-P energy: -79.088
tors. eta vs tors. theta energy: -150.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -1771.761938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.761938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.761938 (E_RNA)
where:
Base-Base interactions energy: -1271.041
where: short stacking energy: -516.325
Base-Backbone interact. energy: 5.630
local terms energy: -506.351336
where:
bonds (distance) C4'-P energy: -101.692
bonds (distance) P-C4' energy: -102.904
flat angles C4'-P-C4' energy: -113.130
flat angles P-C4'-P energy: -66.419
tors. eta vs tors. theta energy: -122.207
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: 424
Temperature: 1.050000
Total energy: -1724.205150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.205150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.205150 (E_RNA)
where:
Base-Base interactions energy: -1183.972
where: short stacking energy: -489.436
Base-Backbone interact. energy: -1.975
local terms energy: -538.257485
where:
bonds (distance) C4'-P energy: -99.711
bonds (distance) P-C4' energy: -110.205
flat angles C4'-P-C4' energy: -117.084
flat angles P-C4'-P energy: -73.791
tors. eta vs tors. theta energy: -137.467
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: 7
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -1573.192786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.192786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.192786 (E_RNA)
where:
Base-Base interactions energy: -1103.479
where: short stacking energy: -450.085
Base-Backbone interact. energy: 0.293
local terms energy: -470.006598
where:
bonds (distance) C4'-P energy: -90.302
bonds (distance) P-C4' energy: -88.719
flat angles C4'-P-C4' energy: -99.778
flat angles P-C4'-P energy: -79.087
tors. eta vs tors. theta energy: -112.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -1622.786861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1622.786861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1622.786861 (E_RNA)
where:
Base-Base interactions energy: -1134.847
where: short stacking energy: -460.633
Base-Backbone interact. energy: -4.255
local terms energy: -483.684192
where:
bonds (distance) C4'-P energy: -83.809
bonds (distance) P-C4' energy: -94.955
flat angles C4'-P-C4' energy: -116.146
flat angles P-C4'-P energy: -61.164
tors. eta vs tors. theta energy: -127.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -1353.297013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1353.297013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1353.297013 (E_RNA)
where:
Base-Base interactions energy: -929.422
where: short stacking energy: -391.545
Base-Backbone interact. energy: 0.531
local terms energy: -424.406803
where:
bonds (distance) C4'-P energy: -73.325
bonds (distance) P-C4' energy: -112.640
flat angles C4'-P-C4' energy: -81.173
flat angles P-C4'-P energy: -69.635
tors. eta vs tors. theta energy: -87.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -1309.842224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.842224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.842224 (E_RNA)
where:
Base-Base interactions energy: -903.499
where: short stacking energy: -371.995
Base-Backbone interact. energy: -2.540
local terms energy: -403.802612
where:
bonds (distance) C4'-P energy: -76.713
bonds (distance) P-C4' energy: -97.428
flat angles C4'-P-C4' energy: -84.001
flat angles P-C4'-P energy: -57.486
tors. eta vs tors. theta energy: -88.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -993.035369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -993.035369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -993.035369 (E_RNA)
where:
Base-Base interactions energy: -652.323
where: short stacking energy: -274.898
Base-Backbone interact. energy: -2.404
local terms energy: -338.307777
where:
bonds (distance) C4'-P energy: -72.121
bonds (distance) P-C4' energy: -92.784
flat angles C4'-P-C4' energy: -89.572
flat angles P-C4'-P energy: -40.390
tors. eta vs tors. theta energy: -43.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -708.851994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -708.851994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -708.851994 (E_RNA)
where:
Base-Base interactions energy: -412.354
where: short stacking energy: -215.168
Base-Backbone interact. energy: -0.677
local terms energy: -295.820337
where:
bonds (distance) C4'-P energy: -75.274
bonds (distance) P-C4' energy: -84.170
flat angles C4'-P-C4' energy: -78.409
flat angles P-C4'-P energy: -44.701
tors. eta vs tors. theta energy: -13.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -1902.504434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.504434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.504434 (E_RNA)
where:
Base-Base interactions energy: -1334.303
where: short stacking energy: -544.380
Base-Backbone interact. energy: -0.863
local terms energy: -567.337874
where:
bonds (distance) C4'-P energy: -115.653
bonds (distance) P-C4' energy: -99.829
flat angles C4'-P-C4' energy: -121.564
flat angles P-C4'-P energy: -88.004
tors. eta vs tors. theta energy: -142.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -1885.559564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.559564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.559564 (E_RNA)
where:
Base-Base interactions energy: -1328.740
where: short stacking energy: -542.382
Base-Backbone interact. energy: -1.335
local terms energy: -555.484338
where:
bonds (distance) C4'-P energy: -103.799
bonds (distance) P-C4' energy: -105.539
flat angles C4'-P-C4' energy: -115.157
flat angles P-C4'-P energy: -82.560
tors. eta vs tors. theta energy: -148.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -1777.768460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.768460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.768460 (E_RNA)
where:
Base-Base interactions energy: -1246.762
where: short stacking energy: -511.838
Base-Backbone interact. energy: -2.589
local terms energy: -528.416842
where:
bonds (distance) C4'-P energy: -85.790
bonds (distance) P-C4' energy: -101.708
flat angles C4'-P-C4' energy: -121.129
flat angles P-C4'-P energy: -65.278
tors. eta vs tors. theta energy: -154.511
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: 4
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -1707.615922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.615922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.615922 (E_RNA)
where:
Base-Base interactions energy: -1221.807
where: short stacking energy: -494.321
Base-Backbone interact. energy: -0.447
local terms energy: -485.361765
where:
bonds (distance) C4'-P energy: -91.772
bonds (distance) P-C4' energy: -87.724
flat angles C4'-P-C4' energy: -103.008
flat angles P-C4'-P energy: -76.140
tors. eta vs tors. theta energy: -126.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -1615.430361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.430361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.430361 (E_RNA)
where:
Base-Base interactions energy: -1136.036
where: short stacking energy: -492.141
Base-Backbone interact. energy: -2.063
local terms energy: -477.331821
where:
bonds (distance) C4'-P energy: -82.124
bonds (distance) P-C4' energy: -95.229
flat angles C4'-P-C4' energy: -108.097
flat angles P-C4'-P energy: -61.725
tors. eta vs tors. theta energy: -130.156
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: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -1627.494508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.494508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.494508 (E_RNA)
where:
Base-Base interactions energy: -1151.216
where: short stacking energy: -467.917
Base-Backbone interact. energy: -2.866
local terms energy: -473.412474
where:
bonds (distance) C4'-P energy: -78.739
bonds (distance) P-C4' energy: -85.478
flat angles C4'-P-C4' energy: -110.495
flat angles P-C4'-P energy: -68.636
tors. eta vs tors. theta energy: -130.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -1369.105737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1369.105737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1369.105737 (E_RNA)
where:
Base-Base interactions energy: -930.700
where: short stacking energy: -404.224
Base-Backbone interact. energy: -1.987
local terms energy: -436.418147
where:
bonds (distance) C4'-P energy: -85.445
bonds (distance) P-C4' energy: -94.502
flat angles C4'-P-C4' energy: -95.129
flat angles P-C4'-P energy: -61.616
tors. eta vs tors. theta energy: -99.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -1274.146295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1274.146295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1274.146295 (E_RNA)
where:
Base-Base interactions energy: -881.195
where: short stacking energy: -363.212
Base-Backbone interact. energy: 0.802
local terms energy: -393.752794
where:
bonds (distance) C4'-P energy: -82.112
bonds (distance) P-C4' energy: -87.611
flat angles C4'-P-C4' energy: -83.182
flat angles P-C4'-P energy: -58.667
tors. eta vs tors. theta energy: -82.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -1023.967705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1023.967705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1023.967705 (E_RNA)
where:
Base-Base interactions energy: -692.348
where: short stacking energy: -319.125
Base-Backbone interact. energy: -2.233
local terms energy: -329.386325
where:
bonds (distance) C4'-P energy: -73.711
bonds (distance) P-C4' energy: -82.866
flat angles C4'-P-C4' energy: -76.112
flat angles P-C4'-P energy: -45.012
tors. eta vs tors. theta energy: -51.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -693.507386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -693.507386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -693.507386 (E_RNA)
where:
Base-Base interactions energy: -418.207
where: short stacking energy: -221.804
Base-Backbone interact. energy: -0.911
local terms energy: -274.389160
where:
bonds (distance) C4'-P energy: -74.193
bonds (distance) P-C4' energy: -70.894
flat angles C4'-P-C4' energy: -72.144
flat angles P-C4'-P energy: -52.671
tors. eta vs tors. theta energy: -4.487
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: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -1899.359343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1899.359343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1899.359343 (E_RNA)
where:
Base-Base interactions energy: -1362.130
where: short stacking energy: -570.923
Base-Backbone interact. energy: -5.419
local terms energy: -531.809882
where:
bonds (distance) C4'-P energy: -87.138
bonds (distance) P-C4' energy: -91.951
flat angles C4'-P-C4' energy: -115.394
flat angles P-C4'-P energy: -80.701
tors. eta vs tors. theta energy: -156.627
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: 1
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -1893.932038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.932038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.932038 (E_RNA)
where:
Base-Base interactions energy: -1341.970
where: short stacking energy: -542.758
Base-Backbone interact. energy: -1.871
local terms energy: -550.091673
where:
bonds (distance) C4'-P energy: -98.579
bonds (distance) P-C4' energy: -99.300
flat angles C4'-P-C4' energy: -122.122
flat angles P-C4'-P energy: -80.927
tors. eta vs tors. theta energy: -149.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -1783.435968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.435968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.435968 (E_RNA)
where:
Base-Base interactions energy: -1279.212
where: short stacking energy: -511.217
Base-Backbone interact. energy: 0.895
local terms energy: -505.118796
where:
bonds (distance) C4'-P energy: -88.225
bonds (distance) P-C4' energy: -98.678
flat angles C4'-P-C4' energy: -118.764
flat angles P-C4'-P energy: -66.266
tors. eta vs tors. theta energy: -133.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -1715.839745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1715.839745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1715.839745 (E_RNA)
where:
Base-Base interactions energy: -1195.408
where: short stacking energy: -490.761
Base-Backbone interact. energy: -1.707
local terms energy: -518.724827
where:
bonds (distance) C4'-P energy: -88.053
bonds (distance) P-C4' energy: -109.644
flat angles C4'-P-C4' energy: -107.684
flat angles P-C4'-P energy: -84.558
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: 5, replica: 8
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -1657.999697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1657.999697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1657.999697 (E_RNA)
where:
Base-Base interactions energy: -1172.106
where: short stacking energy: -493.268
Base-Backbone interact. energy: -0.508
local terms energy: -485.385735
where:
bonds (distance) C4'-P energy: -94.553
bonds (distance) P-C4' energy: -82.789
flat angles C4'-P-C4' energy: -105.233
flat angles P-C4'-P energy: -69.783
tors. eta vs tors. theta energy: -133.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -1521.907076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1521.907076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1521.907076 (E_RNA)
where:
Base-Base interactions energy: -1068.462
where: short stacking energy: -440.638
Base-Backbone interact. energy: -1.231
local terms energy: -452.214414
where:
bonds (distance) C4'-P energy: -83.035
bonds (distance) P-C4' energy: -71.176
flat angles C4'-P-C4' energy: -96.620
flat angles P-C4'-P energy: -79.128
tors. eta vs tors. theta energy: -122.256
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: 426
Temperature: 1.200000
Total energy: -1367.832856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.832856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.832856 (E_RNA)
where:
Base-Base interactions energy: -927.967
where: short stacking energy: -376.768
Base-Backbone interact. energy: 1.893
local terms energy: -441.759416
where:
bonds (distance) C4'-P energy: -76.562
bonds (distance) P-C4' energy: -95.685
flat angles C4'-P-C4' energy: -107.267
flat angles P-C4'-P energy: -58.889
tors. eta vs tors. theta energy: -103.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -1277.731126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1277.731126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1277.731126 (E_RNA)
where:
Base-Base interactions energy: -904.792
where: short stacking energy: -376.025
Base-Backbone interact. energy: 1.121
local terms energy: -374.060215
where:
bonds (distance) C4'-P energy: -70.583
bonds (distance) P-C4' energy: -78.252
flat angles C4'-P-C4' energy: -93.800
flat angles P-C4'-P energy: -51.000
tors. eta vs tors. theta energy: -80.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -1096.013910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1096.013910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1096.013910 (E_RNA)
where:
Base-Base interactions energy: -721.841
where: short stacking energy: -309.714
Base-Backbone interact. energy: 0.156
local terms energy: -374.328810
where:
bonds (distance) C4'-P energy: -81.180
bonds (distance) P-C4' energy: -86.084
flat angles C4'-P-C4' energy: -90.007
flat angles P-C4'-P energy: -60.572
tors. eta vs tors. theta energy: -56.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -699.713349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.713349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.713349 (E_RNA)
where:
Base-Base interactions energy: -403.340
where: short stacking energy: -197.093
Base-Backbone interact. energy: 1.152
local terms energy: -297.525147
where:
bonds (distance) C4'-P energy: -81.889
bonds (distance) P-C4' energy: -72.903
flat angles C4'-P-C4' energy: -77.720
flat angles P-C4'-P energy: -53.325
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -1923.989931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1923.989931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1923.989931 (E_RNA)
where:
Base-Base interactions energy: -1363.174
where: short stacking energy: -557.205
Base-Backbone interact. energy: -5.569
local terms energy: -555.247120
where:
bonds (distance) C4'-P energy: -93.452
bonds (distance) P-C4' energy: -108.815
flat angles C4'-P-C4' energy: -117.936
flat angles P-C4'-P energy: -79.952
tors. eta vs tors. theta energy: -155.092
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: 427
Temperature: 0.950000
Total energy: -1898.574952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1898.574952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1898.574952 (E_RNA)
where:
Base-Base interactions energy: -1354.202
where: short stacking energy: -534.656
Base-Backbone interact. energy: -0.610
local terms energy: -543.762944
where:
bonds (distance) C4'-P energy: -93.671
bonds (distance) P-C4' energy: -103.997
flat angles C4'-P-C4' energy: -121.505
flat angles P-C4'-P energy: -78.166
tors. eta vs tors. theta energy: -146.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -1740.939723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.939723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.939723 (E_RNA)
where:
Base-Base interactions energy: -1244.451
where: short stacking energy: -525.794
Base-Backbone interact. energy: 1.087
local terms energy: -497.575778
where:
bonds (distance) C4'-P energy: -92.155
bonds (distance) P-C4' energy: -99.849
flat angles C4'-P-C4' energy: -101.984
flat angles P-C4'-P energy: -68.344
tors. eta vs tors. theta energy: -135.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -1700.339850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1700.339850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1700.339850 (E_RNA)
where:
Base-Base interactions energy: -1206.421
where: short stacking energy: -491.237
Base-Backbone interact. energy: -1.517
local terms energy: -492.402252
where:
bonds (distance) C4'-P energy: -88.182
bonds (distance) P-C4' energy: -91.199
flat angles C4'-P-C4' energy: -116.640
flat angles P-C4'-P energy: -71.121
tors. eta vs tors. theta energy: -125.259
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: 8
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -1630.211494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1630.211494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1630.211494 (E_RNA)
where:
Base-Base interactions energy: -1161.185
where: short stacking energy: -495.402
Base-Backbone interact. energy: -2.163
local terms energy: -466.863580
where:
bonds (distance) C4'-P energy: -82.193
bonds (distance) P-C4' energy: -73.193
flat angles C4'-P-C4' energy: -107.334
flat angles P-C4'-P energy: -73.742
tors. eta vs tors. theta energy: -130.402
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: 7
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -1481.945820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.945820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.945820 (E_RNA)
where:
Base-Base interactions energy: -1037.060
where: short stacking energy: -425.697
Base-Backbone interact. energy: -1.473
local terms energy: -443.412401
where:
bonds (distance) C4'-P energy: -83.883
bonds (distance) P-C4' energy: -102.735
flat angles C4'-P-C4' energy: -88.343
flat angles P-C4'-P energy: -70.152
tors. eta vs tors. theta energy: -98.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -1390.794398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.794398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.794398 (E_RNA)
where:
Base-Base interactions energy: -938.195
where: short stacking energy: -421.332
Base-Backbone interact. energy: -2.223
local terms energy: -450.377352
where:
bonds (distance) C4'-P energy: -75.866
bonds (distance) P-C4' energy: -96.852
flat angles C4'-P-C4' energy: -92.234
flat angles P-C4'-P energy: -66.056
tors. eta vs tors. theta energy: -119.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -1251.226304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.226304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.226304 (E_RNA)
where:
Base-Base interactions energy: -885.426
where: short stacking energy: -355.763
Base-Backbone interact. energy: 1.830
local terms energy: -367.629798
where:
bonds (distance) C4'-P energy: -73.208
bonds (distance) P-C4' energy: -93.427
flat angles C4'-P-C4' energy: -88.246
flat angles P-C4'-P energy: -44.886
tors. eta vs tors. theta energy: -67.863
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: 9, replica: 5
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -1060.797285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.797285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.797285 (E_RNA)
where:
Base-Base interactions energy: -703.209
where: short stacking energy: -303.040
Base-Backbone interact. energy: -1.810
local terms energy: -355.778163
where:
bonds (distance) C4'-P energy: -83.167
bonds (distance) P-C4' energy: -81.495
flat angles C4'-P-C4' energy: -75.017
flat angles P-C4'-P energy: -66.222
tors. eta vs tors. theta energy: -49.876
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: 427
Temperature: 1.350000
Total energy: -734.434773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -734.434773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -734.434773 (E_RNA)
where:
Base-Base interactions energy: -432.034
where: short stacking energy: -226.015
Base-Backbone interact. energy: 2.789
local terms energy: -305.189933
where:
bonds (distance) C4'-P energy: -61.480
bonds (distance) P-C4' energy: -99.681
flat angles C4'-P-C4' energy: -78.613
flat angles P-C4'-P energy: -48.736
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -1928.880380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1928.880380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1928.880380 (E_RNA)
where:
Base-Base interactions energy: -1384.211
where: short stacking energy: -562.277
Base-Backbone interact. energy: 2.264
local terms energy: -546.932939
where:
bonds (distance) C4'-P energy: -99.583
bonds (distance) P-C4' energy: -103.093
flat angles C4'-P-C4' energy: -117.877
flat angles P-C4'-P energy: -73.115
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: 2, replica: 1
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -1905.419140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.419140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.419140 (E_RNA)
where:
Base-Base interactions energy: -1378.422
where: short stacking energy: -541.035
Base-Backbone interact. energy: 3.231
local terms energy: -530.228588
where:
bonds (distance) C4'-P energy: -95.601
bonds (distance) P-C4' energy: -93.724
flat angles C4'-P-C4' energy: -107.699
flat angles P-C4'-P energy: -82.137
tors. eta vs tors. theta energy: -151.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -1756.537195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1756.537195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1756.537195 (E_RNA)
where:
Base-Base interactions energy: -1233.434
where: short stacking energy: -485.196
Base-Backbone interact. energy: -1.850
local terms energy: -521.253353
where:
bonds (distance) C4'-P energy: -100.257
bonds (distance) P-C4' energy: -109.000
flat angles C4'-P-C4' energy: -112.036
flat angles P-C4'-P energy: -73.787
tors. eta vs tors. theta energy: -126.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -1713.518481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.518481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.518481 (E_RNA)
where:
Base-Base interactions energy: -1201.332
where: short stacking energy: -492.526
Base-Backbone interact. energy: -2.771
local terms energy: -509.415530
where:
bonds (distance) C4'-P energy: -95.863
bonds (distance) P-C4' energy: -90.371
flat angles C4'-P-C4' energy: -123.695
flat angles P-C4'-P energy: -73.875
tors. eta vs tors. theta energy: -125.611
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: 8
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -1627.621678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1627.621678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1627.621678 (E_RNA)
where:
Base-Base interactions energy: -1128.205
where: short stacking energy: -465.128
Base-Backbone interact. energy: 0.134
local terms energy: -499.550296
where:
bonds (distance) C4'-P energy: -89.528
bonds (distance) P-C4' energy: -98.965
flat angles C4'-P-C4' energy: -111.510
flat angles P-C4'-P energy: -69.409
tors. eta vs tors. theta energy: -130.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -1470.786428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1470.786428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1470.786428 (E_RNA)
where:
Base-Base interactions energy: -1015.086
where: short stacking energy: -419.119
Base-Backbone interact. energy: -2.019
local terms energy: -453.681564
where:
bonds (distance) C4'-P energy: -76.856
bonds (distance) P-C4' energy: -100.052
flat angles C4'-P-C4' energy: -105.028
flat angles P-C4'-P energy: -64.504
tors. eta vs tors. theta energy: -107.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -1392.323317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1392.323317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1392.323317 (E_RNA)
where:
Base-Base interactions energy: -944.007
where: short stacking energy: -407.969
Base-Backbone interact. energy: 0.686
local terms energy: -449.001512
where:
bonds (distance) C4'-P energy: -85.988
bonds (distance) P-C4' energy: -98.148
flat angles C4'-P-C4' energy: -98.504
flat angles P-C4'-P energy: -65.107
tors. eta vs tors. theta energy: -101.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -1285.364312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.364312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.364312 (E_RNA)
where:
Base-Base interactions energy: -867.564
where: short stacking energy: -360.338
Base-Backbone interact. energy: 2.335
local terms energy: -420.135188
where:
bonds (distance) C4'-P energy: -96.630
bonds (distance) P-C4' energy: -88.186
flat angles C4'-P-C4' energy: -101.179
flat angles P-C4'-P energy: -61.490
tors. eta vs tors. theta energy: -72.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -1076.765080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1076.765080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1076.765080 (E_RNA)
where:
Base-Base interactions energy: -709.343
where: short stacking energy: -301.229
Base-Backbone interact. energy: -0.346
local terms energy: -367.075924
where:
bonds (distance) C4'-P energy: -83.289
bonds (distance) P-C4' energy: -78.268
flat angles C4'-P-C4' energy: -96.001
flat angles P-C4'-P energy: -54.655
tors. eta vs tors. theta energy: -54.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -699.514666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -699.514666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -699.514666 (E_RNA)
where:
Base-Base interactions energy: -394.124
where: short stacking energy: -197.365
Base-Backbone interact. energy: 3.369
local terms energy: -308.759858
where:
bonds (distance) C4'-P energy: -75.429
bonds (distance) P-C4' energy: -93.952
flat angles C4'-P-C4' energy: -79.174
flat angles P-C4'-P energy: -41.189
tors. eta vs tors. theta energy: -19.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -1912.577425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.577425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.577425 (E_RNA)
where:
Base-Base interactions energy: -1356.211
where: short stacking energy: -573.288
Base-Backbone interact. energy: -4.318
local terms energy: -552.048513
where:
bonds (distance) C4'-P energy: -100.202
bonds (distance) P-C4' energy: -110.249
flat angles C4'-P-C4' energy: -116.361
flat angles P-C4'-P energy: -69.780
tors. eta vs tors. theta energy: -155.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -1881.580453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.580453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.580453 (E_RNA)
where:
Base-Base interactions energy: -1360.706
where: short stacking energy: -534.591
Base-Backbone interact. energy: -1.447
local terms energy: -519.427109
where:
bonds (distance) C4'-P energy: -89.115
bonds (distance) P-C4' energy: -89.856
flat angles C4'-P-C4' energy: -115.548
flat angles P-C4'-P energy: -78.570
tors. eta vs tors. theta energy: -146.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -1739.982582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1739.982582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1739.982582 (E_RNA)
where:
Base-Base interactions energy: -1201.892
where: short stacking energy: -489.176
Base-Backbone interact. energy: 0.469
local terms energy: -538.559779
where:
bonds (distance) C4'-P energy: -103.163
bonds (distance) P-C4' energy: -104.505
flat angles C4'-P-C4' energy: -117.572
flat angles P-C4'-P energy: -77.050
tors. eta vs tors. theta energy: -136.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -1726.835262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.835262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.835262 (E_RNA)
where:
Base-Base interactions energy: -1251.200
where: short stacking energy: -512.107
Base-Backbone interact. energy: 4.105
local terms energy: -479.739724
where:
bonds (distance) C4'-P energy: -85.192
bonds (distance) P-C4' energy: -83.763
flat angles C4'-P-C4' energy: -108.469
flat angles P-C4'-P energy: -60.216
tors. eta vs tors. theta energy: -142.100
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: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -1645.957022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.957022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.957022 (E_RNA)
where:
Base-Base interactions energy: -1171.429
where: short stacking energy: -488.720
Base-Backbone interact. energy: -2.955
local terms energy: -471.572692
where:
bonds (distance) C4'-P energy: -84.233
bonds (distance) P-C4' energy: -82.157
flat angles C4'-P-C4' energy: -106.903
flat angles P-C4'-P energy: -68.868
tors. eta vs tors. theta energy: -129.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -1507.690751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1507.690751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1507.690751 (E_RNA)
where:
Base-Base interactions energy: -1051.325
where: short stacking energy: -415.415
Base-Backbone interact. energy: -0.281
local terms energy: -456.084793
where:
bonds (distance) C4'-P energy: -77.651
bonds (distance) P-C4' energy: -93.792
flat angles C4'-P-C4' energy: -113.668
flat angles P-C4'-P energy: -57.564
tors. eta vs tors. theta energy: -113.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -1398.306309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1398.306309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1398.306309 (E_RNA)
where:
Base-Base interactions energy: -961.612
where: short stacking energy: -418.486
Base-Backbone interact. energy: 5.306
local terms energy: -441.999835
where:
bonds (distance) C4'-P energy: -91.575
bonds (distance) P-C4' energy: -81.525
flat angles C4'-P-C4' energy: -102.651
flat angles P-C4'-P energy: -57.083
tors. eta vs tors. theta energy: -109.166
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: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -1335.675803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1335.675803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1335.675803 (E_RNA)
where:
Base-Base interactions energy: -927.203
where: short stacking energy: -406.477
Base-Backbone interact. energy: -2.602
local terms energy: -405.870977
where:
bonds (distance) C4'-P energy: -82.191
bonds (distance) P-C4' energy: -68.897
flat angles C4'-P-C4' energy: -90.092
flat angles P-C4'-P energy: -66.851
tors. eta vs tors. theta energy: -97.840
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: 5
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -1069.143506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1069.143506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1069.143506 (E_RNA)
where:
Base-Base interactions energy: -718.963
where: short stacking energy: -278.146
Base-Backbone interact. energy: -1.055
local terms energy: -349.125313
where:
bonds (distance) C4'-P energy: -69.159
bonds (distance) P-C4' energy: -72.455
flat angles C4'-P-C4' energy: -93.744
flat angles P-C4'-P energy: -67.392
tors. eta vs tors. theta energy: -46.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -707.208805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -707.208805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -707.208805 (E_RNA)
where:
Base-Base interactions energy: -401.506
where: short stacking energy: -211.290
Base-Backbone interact. energy: -1.625
local terms energy: -304.077147
where:
bonds (distance) C4'-P energy: -71.386
bonds (distance) P-C4' energy: -101.148
flat angles C4'-P-C4' energy: -72.975
flat angles P-C4'-P energy: -47.767
tors. eta vs tors. theta energy: -10.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -1945.752902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.752902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.752902 (E_RNA)
where:
Base-Base interactions energy: -1365.765
where: short stacking energy: -574.716
Base-Backbone interact. energy: -0.527
local terms energy: -579.460621
where:
bonds (distance) C4'-P energy: -106.091
bonds (distance) P-C4' energy: -108.357
flat angles C4'-P-C4' energy: -113.981
flat angles P-C4'-P energy: -88.308
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: 430
Temperature: 0.950000
Total energy: -1890.223459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1890.223459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1890.223459 (E_RNA)
where:
Base-Base interactions energy: -1341.373
where: short stacking energy: -537.143
Base-Backbone interact. energy: -2.318
local terms energy: -546.532912
where:
bonds (distance) C4'-P energy: -104.917
bonds (distance) P-C4' energy: -110.627
flat angles C4'-P-C4' energy: -117.500
flat angles P-C4'-P energy: -68.191
tors. eta vs tors. theta energy: -145.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -1743.893034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.893034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.893034 (E_RNA)
where:
Base-Base interactions energy: -1245.431
where: short stacking energy: -523.749
Base-Backbone interact. energy: -1.490
local terms energy: -496.972689
where:
bonds (distance) C4'-P energy: -82.261
bonds (distance) P-C4' energy: -93.367
flat angles C4'-P-C4' energy: -115.772
flat angles P-C4'-P energy: -68.906
tors. eta vs tors. theta energy: -136.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -1704.572327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.572327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.572327 (E_RNA)
where:
Base-Base interactions energy: -1201.644
where: short stacking energy: -500.356
Base-Backbone interact. energy: -4.501
local terms energy: -498.427557
where:
bonds (distance) C4'-P energy: -96.888
bonds (distance) P-C4' energy: -81.531
flat angles C4'-P-C4' energy: -111.684
flat angles P-C4'-P energy: -69.228
tors. eta vs tors. theta energy: -139.097
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: 8
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -1677.653933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1677.653933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1677.653933 (E_RNA)
where:
Base-Base interactions energy: -1177.112
where: short stacking energy: -503.819
Base-Backbone interact. energy: -1.028
local terms energy: -499.513948
where:
bonds (distance) C4'-P energy: -78.864
bonds (distance) P-C4' energy: -99.944
flat angles C4'-P-C4' energy: -110.191
flat angles P-C4'-P energy: -68.586
tors. eta vs tors. theta energy: -141.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -1533.041714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1533.041714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1533.041714 (E_RNA)
where:
Base-Base interactions energy: -1092.779
where: short stacking energy: -442.859
Base-Backbone interact. energy: -1.585
local terms energy: -438.678024
where:
bonds (distance) C4'-P energy: -88.576
bonds (distance) P-C4' energy: -78.462
flat angles C4'-P-C4' energy: -100.252
flat angles P-C4'-P energy: -54.683
tors. eta vs tors. theta energy: -116.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -1380.482251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1380.482251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1380.482251 (E_RNA)
where:
Base-Base interactions energy: -949.213
where: short stacking energy: -418.112
Base-Backbone interact. energy: -3.902
local terms energy: -427.366890
where:
bonds (distance) C4'-P energy: -83.772
bonds (distance) P-C4' energy: -92.326
flat angles C4'-P-C4' energy: -97.828
flat angles P-C4'-P energy: -61.531
tors. eta vs tors. theta energy: -91.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -1323.431933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1323.431933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1323.431933 (E_RNA)
where:
Base-Base interactions energy: -906.235
where: short stacking energy: -374.467
Base-Backbone interact. energy: -1.339
local terms energy: -415.857862
where:
bonds (distance) C4'-P energy: -69.754
bonds (distance) P-C4' energy: -96.052
flat angles C4'-P-C4' energy: -98.564
flat angles P-C4'-P energy: -59.045
tors. eta vs tors. theta energy: -92.442
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: 5
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -1035.534356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1035.534356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1035.534356 (E_RNA)
where:
Base-Base interactions energy: -664.929
where: short stacking energy: -296.629
Base-Backbone interact. energy: -3.110
local terms energy: -367.494787
where:
bonds (distance) C4'-P energy: -92.067
bonds (distance) P-C4' energy: -78.115
flat angles C4'-P-C4' energy: -93.878
flat angles P-C4'-P energy: -48.329
tors. eta vs tors. theta energy: -55.106
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: 10
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -718.676538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -718.676538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -718.676538 (E_RNA)
where:
Base-Base interactions energy: -428.997
where: short stacking energy: -215.737
Base-Backbone interact. energy: 0.852
local terms energy: -290.532138
where:
bonds (distance) C4'-P energy: -72.351
bonds (distance) P-C4' energy: -82.673
flat angles C4'-P-C4' energy: -78.172
flat angles P-C4'-P energy: -36.959
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -1939.880457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1939.880457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1939.880457 (E_RNA)
where:
Base-Base interactions energy: -1389.578
where: short stacking energy: -569.919
Base-Backbone interact. energy: -0.170
local terms energy: -550.132623
where:
bonds (distance) C4'-P energy: -101.255
bonds (distance) P-C4' energy: -94.588
flat angles C4'-P-C4' energy: -119.083
flat angles P-C4'-P energy: -78.964
tors. eta vs tors. theta energy: -156.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -1895.439741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1895.439741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1895.439741 (E_RNA)
where:
Base-Base interactions energy: -1364.265
where: short stacking energy: -563.400
Base-Backbone interact. energy: -0.391
local terms energy: -530.784007
where:
bonds (distance) C4'-P energy: -97.240
bonds (distance) P-C4' energy: -81.840
flat angles C4'-P-C4' energy: -114.570
flat angles P-C4'-P energy: -78.133
tors. eta vs tors. theta energy: -159.001
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: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -1771.588579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.588579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.588579 (E_RNA)
where:
Base-Base interactions energy: -1253.535
where: short stacking energy: -513.261
Base-Backbone interact. energy: -2.460
local terms energy: -515.593237
where:
bonds (distance) C4'-P energy: -98.234
bonds (distance) P-C4' energy: -93.792
flat angles C4'-P-C4' energy: -104.272
flat angles P-C4'-P energy: -76.406
tors. eta vs tors. theta energy: -142.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -1686.634741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1686.634741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1686.634741 (E_RNA)
where:
Base-Base interactions energy: -1179.325
where: short stacking energy: -489.483
Base-Backbone interact. energy: 0.059
local terms energy: -507.369005
where:
bonds (distance) C4'-P energy: -100.062
bonds (distance) P-C4' energy: -102.404
flat angles C4'-P-C4' energy: -99.204
flat angles P-C4'-P energy: -72.858
tors. eta vs tors. theta energy: -132.841
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: 5, replica: 3
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -1641.997509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.997509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.997509 (E_RNA)
where:
Base-Base interactions energy: -1171.401
where: short stacking energy: -467.420
Base-Backbone interact. energy: -0.369
local terms energy: -470.227685
where:
bonds (distance) C4'-P energy: -96.621
bonds (distance) P-C4' energy: -72.667
flat angles C4'-P-C4' energy: -114.166
flat angles P-C4'-P energy: -69.111
tors. eta vs tors. theta energy: -117.663
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: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -1516.973930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1516.973930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1516.973930 (E_RNA)
where:
Base-Base interactions energy: -1081.728
where: short stacking energy: -453.866
Base-Backbone interact. energy: 3.495
local terms energy: -438.740384
where:
bonds (distance) C4'-P energy: -97.609
bonds (distance) P-C4' energy: -81.952
flat angles C4'-P-C4' energy: -90.684
flat angles P-C4'-P energy: -56.420
tors. eta vs tors. theta energy: -112.076
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: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -1455.665448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.665448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.665448 (E_RNA)
where:
Base-Base interactions energy: -1010.180
where: short stacking energy: -434.151
Base-Backbone interact. energy: -0.653
local terms energy: -444.832523
where:
bonds (distance) C4'-P energy: -81.400
bonds (distance) P-C4' energy: -85.885
flat angles C4'-P-C4' energy: -102.529
flat angles P-C4'-P energy: -65.302
tors. eta vs tors. theta energy: -109.716
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: 6
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -1346.257137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1346.257137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1346.257137 (E_RNA)
where:
Base-Base interactions energy: -906.609
where: short stacking energy: -372.002
Base-Backbone interact. energy: -0.899
local terms energy: -438.748883
where:
bonds (distance) C4'-P energy: -75.800
bonds (distance) P-C4' energy: -106.345
flat angles C4'-P-C4' energy: -95.151
flat angles P-C4'-P energy: -70.375
tors. eta vs tors. theta energy: -91.079
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: 5
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -1097.439523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1097.439523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1097.439523 (E_RNA)
where:
Base-Base interactions energy: -729.220
where: short stacking energy: -300.088
Base-Backbone interact. energy: 3.837
local terms energy: -372.055949
where:
bonds (distance) C4'-P energy: -74.537
bonds (distance) P-C4' energy: -84.041
flat angles C4'-P-C4' energy: -95.989
flat angles P-C4'-P energy: -59.412
tors. eta vs tors. theta energy: -58.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -711.222875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -711.222875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -711.222875 (E_RNA)
where:
Base-Base interactions energy: -400.401
where: short stacking energy: -192.566
Base-Backbone interact. energy: -3.485
local terms energy: -307.336411
where:
bonds (distance) C4'-P energy: -85.751
bonds (distance) P-C4' energy: -80.644
flat angles C4'-P-C4' energy: -82.341
flat angles P-C4'-P energy: -53.366
tors. eta vs tors. theta energy: -5.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -1946.836063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.836063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.836063 (E_RNA)
where:
Base-Base interactions energy: -1358.552
where: short stacking energy: -563.681
Base-Backbone interact. energy: -4.673
local terms energy: -583.611245
where:
bonds (distance) C4'-P energy: -103.472
bonds (distance) P-C4' energy: -107.853
flat angles C4'-P-C4' energy: -118.191
flat angles P-C4'-P energy: -88.806
tors. eta vs tors. theta energy: -165.289
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: 1
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -1855.553873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.553873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.553873 (E_RNA)
where:
Base-Base interactions energy: -1335.693
where: short stacking energy: -511.536
Base-Backbone interact. energy: 2.804
local terms energy: -522.664521
where:
bonds (distance) C4'-P energy: -89.376
bonds (distance) P-C4' energy: -99.801
flat angles C4'-P-C4' energy: -109.605
flat angles P-C4'-P energy: -79.655
tors. eta vs tors. theta energy: -144.228
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: 432
Temperature: 1.000000
Total energy: -1748.766146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.766146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.766146 (E_RNA)
where:
Base-Base interactions energy: -1229.178
where: short stacking energy: -506.264
Base-Backbone interact. energy: -4.973
local terms energy: -514.614754
where:
bonds (distance) C4'-P energy: -99.120
bonds (distance) P-C4' energy: -107.812
flat angles C4'-P-C4' energy: -102.376
flat angles P-C4'-P energy: -67.661
tors. eta vs tors. theta energy: -137.646
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: 8
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -1722.176555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.176555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.176555 (E_RNA)
where:
Base-Base interactions energy: -1200.814
where: short stacking energy: -513.739
Base-Backbone interact. energy: -1.262
local terms energy: -520.101011
where:
bonds (distance) C4'-P energy: -90.698
bonds (distance) P-C4' energy: -96.435
flat angles C4'-P-C4' energy: -112.114
flat angles P-C4'-P energy: -66.854
tors. eta vs tors. theta energy: -154.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -1673.027149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1673.027149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1673.027149 (E_RNA)
where:
Base-Base interactions energy: -1184.117
where: short stacking energy: -488.121
Base-Backbone interact. energy: 0.338
local terms energy: -489.248783
where:
bonds (distance) C4'-P energy: -81.047
bonds (distance) P-C4' energy: -82.939
flat angles C4'-P-C4' energy: -116.363
flat angles P-C4'-P energy: -73.964
tors. eta vs tors. theta energy: -134.936
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: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -1493.226473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.226473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.226473 (E_RNA)
where:
Base-Base interactions energy: -1049.093
where: short stacking energy: -431.336
Base-Backbone interact. energy: -2.830
local terms energy: -441.303187
where:
bonds (distance) C4'-P energy: -96.276
bonds (distance) P-C4' energy: -73.077
flat angles C4'-P-C4' energy: -95.635
flat angles P-C4'-P energy: -68.574
tors. eta vs tors. theta energy: -107.740
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: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -1420.929411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1420.929411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1420.929411 (E_RNA)
where:
Base-Base interactions energy: -973.569
where: short stacking energy: -434.741
Base-Backbone interact. energy: 3.784
local terms energy: -451.143610
where:
bonds (distance) C4'-P energy: -80.575
bonds (distance) P-C4' energy: -98.186
flat angles C4'-P-C4' energy: -93.174
flat angles P-C4'-P energy: -73.790
tors. eta vs tors. theta energy: -105.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -1324.356987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.356987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.356987 (E_RNA)
where:
Base-Base interactions energy: -935.729
where: short stacking energy: -376.429
Base-Backbone interact. energy: -1.751
local terms energy: -386.876261
where:
bonds (distance) C4'-P energy: -67.636
bonds (distance) P-C4' energy: -96.822
flat angles C4'-P-C4' energy: -77.831
flat angles P-C4'-P energy: -59.393
tors. eta vs tors. theta energy: -85.194
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: 9, replica: 5
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -1052.202124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1052.202124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1052.202124 (E_RNA)
where:
Base-Base interactions energy: -674.099
where: short stacking energy: -276.531
Base-Backbone interact. energy: -0.910
local terms energy: -377.193671
where:
bonds (distance) C4'-P energy: -79.006
bonds (distance) P-C4' energy: -92.824
flat angles C4'-P-C4' energy: -98.261
flat angles P-C4'-P energy: -56.534
tors. eta vs tors. theta energy: -50.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -687.208413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -687.208413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -687.208413 (E_RNA)
where:
Base-Base interactions energy: -385.539
where: short stacking energy: -213.270
Base-Backbone interact. energy: -1.657
local terms energy: -300.011640
where:
bonds (distance) C4'-P energy: -75.032
bonds (distance) P-C4' energy: -87.736
flat angles C4'-P-C4' energy: -66.984
flat angles P-C4'-P energy: -48.433
tors. eta vs tors. theta energy: -21.827
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: 433
Temperature: 0.900000
Total energy: -1941.049323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1941.049323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1941.049323 (E_RNA)
where:
Base-Base interactions energy: -1379.926
where: short stacking energy: -574.384
Base-Backbone interact. energy: -3.999
local terms energy: -557.123676
where:
bonds (distance) C4'-P energy: -89.096
bonds (distance) P-C4' energy: -101.807
flat angles C4'-P-C4' energy: -118.750
flat angles P-C4'-P energy: -86.062
tors. eta vs tors. theta energy: -161.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -1875.407689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.407689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.407689 (E_RNA)
where:
Base-Base interactions energy: -1328.042
where: short stacking energy: -528.911
Base-Backbone interact. energy: -3.729
local terms energy: -543.636462
where:
bonds (distance) C4'-P energy: -108.026
bonds (distance) P-C4' energy: -100.804
flat angles C4'-P-C4' energy: -106.040
flat angles P-C4'-P energy: -84.312
tors. eta vs tors. theta energy: -144.454
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: 433
Temperature: 1.000000
Total energy: -1742.318870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1742.318870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1742.318870 (E_RNA)
where:
Base-Base interactions energy: -1217.982
where: short stacking energy: -502.274
Base-Backbone interact. energy: -2.163
local terms energy: -522.173122
where:
bonds (distance) C4'-P energy: -92.142
bonds (distance) P-C4' energy: -96.176
flat angles C4'-P-C4' energy: -111.005
flat angles P-C4'-P energy: -86.483
tors. eta vs tors. theta energy: -136.367
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: 4, replica: 8
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -1693.532029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.532029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.532029 (E_RNA)
where:
Base-Base interactions energy: -1180.758
where: short stacking energy: -493.187
Base-Backbone interact. energy: 3.139
local terms energy: -515.912908
where:
bonds (distance) C4'-P energy: -97.554
bonds (distance) P-C4' energy: -89.983
flat angles C4'-P-C4' energy: -112.926
flat angles P-C4'-P energy: -77.114
tors. eta vs tors. theta energy: -138.336
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: 433
Temperature: 1.100000
Total energy: -1707.555149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1707.555149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1707.555149 (E_RNA)
where:
Base-Base interactions energy: -1221.814
where: short stacking energy: -484.953
Base-Backbone interact. energy: 0.761
local terms energy: -486.502207
where:
bonds (distance) C4'-P energy: -72.449
bonds (distance) P-C4' energy: -102.999
flat angles C4'-P-C4' energy: -107.690
flat angles P-C4'-P energy: -52.049
tors. eta vs tors. theta energy: -151.316
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: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -1562.601148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1562.601148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1562.601148 (E_RNA)
where:
Base-Base interactions energy: -1096.115
where: short stacking energy: -476.320
Base-Backbone interact. energy: -1.326
local terms energy: -465.159792
where:
bonds (distance) C4'-P energy: -82.874
bonds (distance) P-C4' energy: -84.978
flat angles C4'-P-C4' energy: -96.898
flat angles P-C4'-P energy: -72.243
tors. eta vs tors. theta energy: -128.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -1455.439755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.439755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.439755 (E_RNA)
where:
Base-Base interactions energy: -1062.443
where: short stacking energy: -428.844
Base-Backbone interact. energy: -3.251
local terms energy: -389.745814
where:
bonds (distance) C4'-P energy: -63.968
bonds (distance) P-C4' energy: -83.656
flat angles C4'-P-C4' energy: -91.393
flat angles P-C4'-P energy: -61.261
tors. eta vs tors. theta energy: -89.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -1337.880331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1337.880331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1337.880331 (E_RNA)
where:
Base-Base interactions energy: -925.513
where: short stacking energy: -396.573
Base-Backbone interact. energy: 0.834
local terms energy: -413.201651
where:
bonds (distance) C4'-P energy: -85.064
bonds (distance) P-C4' energy: -84.965
flat angles C4'-P-C4' energy: -96.668
flat angles P-C4'-P energy: -54.736
tors. eta vs tors. theta energy: -91.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -1049.654917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.654917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.654917 (E_RNA)
where:
Base-Base interactions energy: -692.099
where: short stacking energy: -293.501
Base-Backbone interact. energy: -3.361
local terms energy: -354.194938
where:
bonds (distance) C4'-P energy: -84.449
bonds (distance) P-C4' energy: -90.606
flat angles C4'-P-C4' energy: -80.821
flat angles P-C4'-P energy: -49.644
tors. eta vs tors. theta energy: -48.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -715.513160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -715.513160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -715.513160 (E_RNA)
where:
Base-Base interactions energy: -413.831
where: short stacking energy: -206.622
Base-Backbone interact. energy: -1.296
local terms energy: -300.386375
where:
bonds (distance) C4'-P energy: -76.956
bonds (distance) P-C4' energy: -73.618
flat angles C4'-P-C4' energy: -81.177
flat angles P-C4'-P energy: -56.955
tors. eta vs tors. theta energy: -11.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -1934.130721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1934.130721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1934.130721 (E_RNA)
where:
Base-Base interactions energy: -1365.664
where: short stacking energy: -555.541
Base-Backbone interact. energy: -3.989
local terms energy: -564.477531
where:
bonds (distance) C4'-P energy: -106.208
bonds (distance) P-C4' energy: -101.381
flat angles C4'-P-C4' energy: -126.222
flat angles P-C4'-P energy: -75.598
tors. eta vs tors. theta energy: -155.069
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: 434
Temperature: 0.950000
Total energy: -1883.121076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1883.121076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1883.121076 (E_RNA)
where:
Base-Base interactions energy: -1340.317
where: short stacking energy: -544.153
Base-Backbone interact. energy: -1.312
local terms energy: -541.492833
where:
bonds (distance) C4'-P energy: -101.434
bonds (distance) P-C4' energy: -101.953
flat angles C4'-P-C4' energy: -111.452
flat angles P-C4'-P energy: -75.698
tors. eta vs tors. theta energy: -150.956
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: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -1734.536190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.536190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.536190 (E_RNA)
where:
Base-Base interactions energy: -1235.675
where: short stacking energy: -514.753
Base-Backbone interact. energy: 0.750
local terms energy: -499.611222
where:
bonds (distance) C4'-P energy: -85.216
bonds (distance) P-C4' energy: -105.911
flat angles C4'-P-C4' energy: -113.095
flat angles P-C4'-P energy: -62.704
tors. eta vs tors. theta energy: -132.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -1714.431938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1714.431938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1714.431938 (E_RNA)
where:
Base-Base interactions energy: -1183.852
where: short stacking energy: -512.581
Base-Backbone interact. energy: -2.977
local terms energy: -527.603464
where:
bonds (distance) C4'-P energy: -106.660
bonds (distance) P-C4' energy: -99.809
flat angles C4'-P-C4' energy: -111.590
flat angles P-C4'-P energy: -75.106
tors. eta vs tors. theta energy: -134.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -1593.628391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1593.628391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1593.628391 (E_RNA)
where:
Base-Base interactions energy: -1127.798
where: short stacking energy: -480.157
Base-Backbone interact. energy: -1.760
local terms energy: -464.069859
where:
bonds (distance) C4'-P energy: -76.506
bonds (distance) P-C4' energy: -87.350
flat angles C4'-P-C4' energy: -107.331
flat angles P-C4'-P energy: -69.290
tors. eta vs tors. theta energy: -123.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -1631.430939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.430939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.430939 (E_RNA)
where:
Base-Base interactions energy: -1155.437
where: short stacking energy: -479.754
Base-Backbone interact. energy: 2.192
local terms energy: -478.186058
where:
bonds (distance) C4'-P energy: -93.212
bonds (distance) P-C4' energy: -89.266
flat angles C4'-P-C4' energy: -101.563
flat angles P-C4'-P energy: -75.251
tors. eta vs tors. theta energy: -118.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -1471.122768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.122768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.122768 (E_RNA)
where:
Base-Base interactions energy: -1013.725
where: short stacking energy: -398.986
Base-Backbone interact. energy: -1.005
local terms energy: -456.393219
where:
bonds (distance) C4'-P energy: -85.732
bonds (distance) P-C4' energy: -94.320
flat angles C4'-P-C4' energy: -108.781
flat angles P-C4'-P energy: -65.358
tors. eta vs tors. theta energy: -102.203
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: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -1296.855009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1296.855009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1296.855009 (E_RNA)
where:
Base-Base interactions energy: -870.344
where: short stacking energy: -387.157
Base-Backbone interact. energy: -1.537
local terms energy: -424.973382
where:
bonds (distance) C4'-P energy: -82.702
bonds (distance) P-C4' energy: -85.546
flat angles C4'-P-C4' energy: -99.170
flat angles P-C4'-P energy: -53.463
tors. eta vs tors. theta energy: -104.092
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: 5
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -1079.748832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.748832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.748832 (E_RNA)
where:
Base-Base interactions energy: -696.047
where: short stacking energy: -303.300
Base-Backbone interact. energy: -0.025
local terms energy: -383.677082
where:
bonds (distance) C4'-P energy: -79.316
bonds (distance) P-C4' energy: -75.743
flat angles C4'-P-C4' energy: -97.275
flat angles P-C4'-P energy: -63.944
tors. eta vs tors. theta energy: -67.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -764.593644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -764.593644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -764.593644 (E_RNA)
where:
Base-Base interactions energy: -466.927
where: short stacking energy: -243.381
Base-Backbone interact. energy: 0.430
local terms energy: -298.097079
where:
bonds (distance) C4'-P energy: -66.175
bonds (distance) P-C4' energy: -63.629
flat angles C4'-P-C4' energy: -85.707
flat angles P-C4'-P energy: -53.757
tors. eta vs tors. theta energy: -28.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -1943.957278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.957278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.957278 (E_RNA)
where:
Base-Base interactions energy: -1364.526
where: short stacking energy: -557.010
Base-Backbone interact. energy: -3.013
local terms energy: -576.417964
where:
bonds (distance) C4'-P energy: -116.266
bonds (distance) P-C4' energy: -103.077
flat angles C4'-P-C4' energy: -112.568
flat angles P-C4'-P energy: -80.685
tors. eta vs tors. theta energy: -163.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -1884.340139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.340139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.340139 (E_RNA)
where:
Base-Base interactions energy: -1333.771
where: short stacking energy: -540.596
Base-Backbone interact. energy: -0.920
local terms energy: -549.649391
where:
bonds (distance) C4'-P energy: -105.332
bonds (distance) P-C4' energy: -109.105
flat angles C4'-P-C4' energy: -114.712
flat angles P-C4'-P energy: -72.487
tors. eta vs tors. theta energy: -148.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -1773.892185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.892185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.892185 (E_RNA)
where:
Base-Base interactions energy: -1256.901
where: short stacking energy: -527.903
Base-Backbone interact. energy: -1.704
local terms energy: -515.287527
where:
bonds (distance) C4'-P energy: -90.655
bonds (distance) P-C4' energy: -102.856
flat angles C4'-P-C4' energy: -109.763
flat angles P-C4'-P energy: -70.111
tors. eta vs tors. theta energy: -141.903
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: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -1691.882242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.882242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.882242 (E_RNA)
where:
Base-Base interactions energy: -1181.750
where: short stacking energy: -493.837
Base-Backbone interact. energy: -1.853
local terms energy: -508.279553
where:
bonds (distance) C4'-P energy: -92.138
bonds (distance) P-C4' energy: -95.387
flat angles C4'-P-C4' energy: -108.379
flat angles P-C4'-P energy: -76.856
tors. eta vs tors. theta energy: -135.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -1545.483414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.483414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.483414 (E_RNA)
where:
Base-Base interactions energy: -1054.110
where: short stacking energy: -437.204
Base-Backbone interact. energy: 1.890
local terms energy: -493.264048
where:
bonds (distance) C4'-P energy: -90.017
bonds (distance) P-C4' energy: -99.536
flat angles C4'-P-C4' energy: -106.502
flat angles P-C4'-P energy: -82.053
tors. eta vs tors. theta energy: -115.156
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: 3
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -1602.743551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1602.743551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1602.743551 (E_RNA)
where:
Base-Base interactions energy: -1132.946
where: short stacking energy: -453.239
Base-Backbone interact. energy: -4.093
local terms energy: -465.704399
where:
bonds (distance) C4'-P energy: -96.184
bonds (distance) P-C4' energy: -90.324
flat angles C4'-P-C4' energy: -101.362
flat angles P-C4'-P energy: -65.608
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: 9
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -1422.047910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1422.047910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1422.047910 (E_RNA)
where:
Base-Base interactions energy: -1003.819
where: short stacking energy: -400.896
Base-Backbone interact. energy: -0.937
local terms energy: -417.292561
where:
bonds (distance) C4'-P energy: -74.315
bonds (distance) P-C4' energy: -88.265
flat angles C4'-P-C4' energy: -94.877
flat angles P-C4'-P energy: -63.167
tors. eta vs tors. theta energy: -96.669
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: 6
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -1289.746852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1289.746852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1289.746852 (E_RNA)
where:
Base-Base interactions energy: -882.659
where: short stacking energy: -366.552
Base-Backbone interact. energy: 1.075
local terms energy: -408.162892
where:
bonds (distance) C4'-P energy: -84.527
bonds (distance) P-C4' energy: -82.115
flat angles C4'-P-C4' energy: -91.475
flat angles P-C4'-P energy: -68.674
tors. eta vs tors. theta energy: -81.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -1079.646370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1079.646370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1079.646370 (E_RNA)
where:
Base-Base interactions energy: -722.213
where: short stacking energy: -296.390
Base-Backbone interact. energy: -0.830
local terms energy: -356.603590
where:
bonds (distance) C4'-P energy: -74.132
bonds (distance) P-C4' energy: -78.251
flat angles C4'-P-C4' energy: -92.715
flat angles P-C4'-P energy: -53.201
tors. eta vs tors. theta energy: -58.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -730.054414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -730.054414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -730.054414 (E_RNA)
where:
Base-Base interactions energy: -432.662
where: short stacking energy: -222.263
Base-Backbone interact. energy: -1.087
local terms energy: -296.304887
where:
bonds (distance) C4'-P energy: -76.768
bonds (distance) P-C4' energy: -88.916
flat angles C4'-P-C4' energy: -72.611
flat angles P-C4'-P energy: -42.737
tors. eta vs tors. theta energy: -15.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -1945.614257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.614257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.614257 (E_RNA)
where:
Base-Base interactions energy: -1377.327
where: short stacking energy: -556.586
Base-Backbone interact. energy: 1.468
local terms energy: -569.755583
where:
bonds (distance) C4'-P energy: -107.275
bonds (distance) P-C4' energy: -114.538
flat angles C4'-P-C4' energy: -112.233
flat angles P-C4'-P energy: -79.193
tors. eta vs tors. theta energy: -156.517
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: 1
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -1873.911006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.911006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.911006 (E_RNA)
where:
Base-Base interactions energy: -1324.504
where: short stacking energy: -566.639
Base-Backbone interact. energy: -3.151
local terms energy: -546.256207
where:
bonds (distance) C4'-P energy: -93.027
bonds (distance) P-C4' energy: -105.127
flat angles C4'-P-C4' energy: -118.791
flat angles P-C4'-P energy: -80.462
tors. eta vs tors. theta energy: -148.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -1733.562329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1733.562329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1733.562329 (E_RNA)
where:
Base-Base interactions energy: -1222.391
where: short stacking energy: -502.053
Base-Backbone interact. energy: 3.642
local terms energy: -514.813409
where:
bonds (distance) C4'-P energy: -100.511
bonds (distance) P-C4' energy: -91.410
flat angles C4'-P-C4' energy: -112.773
flat angles P-C4'-P energy: -78.490
tors. eta vs tors. theta energy: -131.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -1701.050481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.050481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.050481 (E_RNA)
where:
Base-Base interactions energy: -1196.510
where: short stacking energy: -512.155
Base-Backbone interact. energy: -1.557
local terms energy: -502.983966
where:
bonds (distance) C4'-P energy: -93.798
bonds (distance) P-C4' energy: -94.136
flat angles C4'-P-C4' energy: -98.635
flat angles P-C4'-P energy: -73.407
tors. eta vs tors. theta energy: -143.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -1641.130731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1641.130731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1641.130731 (E_RNA)
where:
Base-Base interactions energy: -1177.146
where: short stacking energy: -486.337
Base-Backbone interact. energy: -1.466
local terms energy: -462.518618
where:
bonds (distance) C4'-P energy: -83.890
bonds (distance) P-C4' energy: -95.940
flat angles C4'-P-C4' energy: -98.590
flat angles P-C4'-P energy: -62.273
tors. eta vs tors. theta energy: -121.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -1501.841027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.841027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.841027 (E_RNA)
where:
Base-Base interactions energy: -1049.302
where: short stacking energy: -435.461
Base-Backbone interact. energy: -1.579
local terms energy: -450.959107
where:
bonds (distance) C4'-P energy: -96.645
bonds (distance) P-C4' energy: -78.095
flat angles C4'-P-C4' energy: -104.828
flat angles P-C4'-P energy: -60.919
tors. eta vs tors. theta energy: -110.472
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: 9
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -1399.524709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1399.524709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1399.524709 (E_RNA)
where:
Base-Base interactions energy: -957.510
where: short stacking energy: -410.631
Base-Backbone interact. energy: -0.133
local terms energy: -441.881536
where:
bonds (distance) C4'-P energy: -97.330
bonds (distance) P-C4' energy: -83.508
flat angles C4'-P-C4' energy: -104.263
flat angles P-C4'-P energy: -56.858
tors. eta vs tors. theta energy: -99.922
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: 6
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -1290.897082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.897082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.897082 (E_RNA)
where:
Base-Base interactions energy: -890.529
where: short stacking energy: -362.094
Base-Backbone interact. energy: 0.862
local terms energy: -401.229842
where:
bonds (distance) C4'-P energy: -85.109
bonds (distance) P-C4' energy: -83.017
flat angles C4'-P-C4' energy: -103.370
flat angles P-C4'-P energy: -43.305
tors. eta vs tors. theta energy: -86.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -1054.248424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.248424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.248424 (E_RNA)
where:
Base-Base interactions energy: -708.371
where: short stacking energy: -314.004
Base-Backbone interact. energy: -3.081
local terms energy: -342.795908
where:
bonds (distance) C4'-P energy: -64.138
bonds (distance) P-C4' energy: -72.608
flat angles C4'-P-C4' energy: -86.278
flat angles P-C4'-P energy: -59.902
tors. eta vs tors. theta energy: -59.869
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: 10, replica: 10
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -739.372081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -739.372081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -739.372081 (E_RNA)
where:
Base-Base interactions energy: -426.088
where: short stacking energy: -209.134
Base-Backbone interact. energy: -0.652
local terms energy: -312.631505
where:
bonds (distance) C4'-P energy: -78.823
bonds (distance) P-C4' energy: -77.191
flat angles C4'-P-C4' energy: -96.037
flat angles P-C4'-P energy: -47.857
tors. eta vs tors. theta energy: -12.724
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: 1, replica: 2
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -1956.673938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.673938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.673938 (E_RNA)
where:
Base-Base interactions energy: -1393.595
where: short stacking energy: -558.153
Base-Backbone interact. energy: -2.141
local terms energy: -560.938504
where:
bonds (distance) C4'-P energy: -102.976
bonds (distance) P-C4' energy: -102.900
flat angles C4'-P-C4' energy: -116.157
flat angles P-C4'-P energy: -77.228
tors. eta vs tors. theta energy: -161.677
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: 2, replica: 1
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -1902.470581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.470581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.470581 (E_RNA)
where:
Base-Base interactions energy: -1340.405
where: short stacking energy: -543.123
Base-Backbone interact. energy: -3.305
local terms energy: -558.759769
where:
bonds (distance) C4'-P energy: -94.037
bonds (distance) P-C4' energy: -105.153
flat angles C4'-P-C4' energy: -121.793
flat angles P-C4'-P energy: -81.820
tors. eta vs tors. theta energy: -155.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -1759.367843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1759.367843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1759.367843 (E_RNA)
where:
Base-Base interactions energy: -1244.489
where: short stacking energy: -520.690
Base-Backbone interact. energy: 2.150
local terms energy: -517.028676
where:
bonds (distance) C4'-P energy: -97.149
bonds (distance) P-C4' energy: -105.747
flat angles C4'-P-C4' energy: -107.108
flat angles P-C4'-P energy: -67.341
tors. eta vs tors. theta energy: -139.683
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: 8
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -1716.921025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.921025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.921025 (E_RNA)
where:
Base-Base interactions energy: -1195.289
where: short stacking energy: -500.752
Base-Backbone interact. energy: -2.977
local terms energy: -518.654791
where:
bonds (distance) C4'-P energy: -87.419
bonds (distance) P-C4' energy: -101.956
flat angles C4'-P-C4' energy: -117.110
flat angles P-C4'-P energy: -76.303
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: 3
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -1689.296591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.296591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.296591 (E_RNA)
where:
Base-Base interactions energy: -1188.872
where: short stacking energy: -501.643
Base-Backbone interact. energy: -3.642
local terms energy: -496.781642
where:
bonds (distance) C4'-P energy: -95.085
bonds (distance) P-C4' energy: -99.053
flat angles C4'-P-C4' energy: -99.736
flat angles P-C4'-P energy: -63.485
tors. eta vs tors. theta energy: -139.423
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: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -1517.017812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.017812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.017812 (E_RNA)
where:
Base-Base interactions energy: -1068.506
where: short stacking energy: -450.853
Base-Backbone interact. energy: -1.573
local terms energy: -446.939054
where:
bonds (distance) C4'-P energy: -84.908
bonds (distance) P-C4' energy: -80.330
flat angles C4'-P-C4' energy: -99.457
flat angles P-C4'-P energy: -64.183
tors. eta vs tors. theta energy: -118.060
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: 9
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -1426.108465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.108465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.108465 (E_RNA)
where:
Base-Base interactions energy: -1012.527
where: short stacking energy: -403.506
Base-Backbone interact. energy: -3.743
local terms energy: -409.839265
where:
bonds (distance) C4'-P energy: -76.916
bonds (distance) P-C4' energy: -83.807
flat angles C4'-P-C4' energy: -97.747
flat angles P-C4'-P energy: -55.049
tors. eta vs tors. theta energy: -96.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -1291.007185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1291.007185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1291.007185 (E_RNA)
where:
Base-Base interactions energy: -898.581
where: short stacking energy: -357.866
Base-Backbone interact. energy: -0.886
local terms energy: -391.540773
where:
bonds (distance) C4'-P energy: -81.954
bonds (distance) P-C4' energy: -91.228
flat angles C4'-P-C4' energy: -91.662
flat angles P-C4'-P energy: -49.037
tors. eta vs tors. theta energy: -77.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -1085.877107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1085.877107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1085.877107 (E_RNA)
where:
Base-Base interactions energy: -722.146
where: short stacking energy: -284.722
Base-Backbone interact. energy: -1.121
local terms energy: -362.609677
where:
bonds (distance) C4'-P energy: -90.633
bonds (distance) P-C4' energy: -92.582
flat angles C4'-P-C4' energy: -77.008
flat angles P-C4'-P energy: -59.719
tors. eta vs tors. theta energy: -42.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -721.711339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -721.711339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -721.711339 (E_RNA)
where:
Base-Base interactions energy: -432.237
where: short stacking energy: -206.238
Base-Backbone interact. energy: 0.546
local terms energy: -290.020156
where:
bonds (distance) C4'-P energy: -68.942
bonds (distance) P-C4' energy: -86.162
flat angles C4'-P-C4' energy: -71.137
flat angles P-C4'-P energy: -47.054
tors. eta vs tors. theta energy: -16.726
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: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -1948.426126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.426126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.426126 (E_RNA)
where:
Base-Base interactions energy: -1393.443
where: short stacking energy: -568.779
Base-Backbone interact. energy: -3.795
local terms energy: -551.188081
where:
bonds (distance) C4'-P energy: -99.998
bonds (distance) P-C4' energy: -92.035
flat angles C4'-P-C4' energy: -118.817
flat angles P-C4'-P energy: -71.420
tors. eta vs tors. theta energy: -168.918
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: 1
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -1873.662103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.662103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.662103 (E_RNA)
where:
Base-Base interactions energy: -1344.526
where: short stacking energy: -534.025
Base-Backbone interact. energy: -2.675
local terms energy: -526.461641
where:
bonds (distance) C4'-P energy: -82.243
bonds (distance) P-C4' energy: -103.308
flat angles C4'-P-C4' energy: -118.598
flat angles P-C4'-P energy: -80.275
tors. eta vs tors. theta energy: -142.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -1745.274288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1745.274288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1745.274288 (E_RNA)
where:
Base-Base interactions energy: -1197.965
where: short stacking energy: -518.102
Base-Backbone interact. energy: -2.766
local terms energy: -544.542492
where:
bonds (distance) C4'-P energy: -102.863
bonds (distance) P-C4' energy: -107.015
flat angles C4'-P-C4' energy: -116.996
flat angles P-C4'-P energy: -74.616
tors. eta vs tors. theta energy: -143.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -1679.755731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.755731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.755731 (E_RNA)
where:
Base-Base interactions energy: -1185.798
where: short stacking energy: -499.880
Base-Backbone interact. energy: -0.969
local terms energy: -492.988654
where:
bonds (distance) C4'-P energy: -87.052
bonds (distance) P-C4' energy: -96.897
flat angles C4'-P-C4' energy: -98.804
flat angles P-C4'-P energy: -74.474
tors. eta vs tors. theta energy: -135.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -1671.590543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.590543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.590543 (E_RNA)
where:
Base-Base interactions energy: -1160.690
where: short stacking energy: -482.766
Base-Backbone interact. energy: 1.171
local terms energy: -512.071086
where:
bonds (distance) C4'-P energy: -113.161
bonds (distance) P-C4' energy: -101.832
flat angles C4'-P-C4' energy: -102.516
flat angles P-C4'-P energy: -58.217
tors. eta vs tors. theta energy: -136.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -1529.467224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1529.467224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1529.467224 (E_RNA)
where:
Base-Base interactions energy: -1076.081
where: short stacking energy: -442.585
Base-Backbone interact. energy: 0.640
local terms energy: -454.026599
where:
bonds (distance) C4'-P energy: -73.940
bonds (distance) P-C4' energy: -96.471
flat angles C4'-P-C4' energy: -102.756
flat angles P-C4'-P energy: -63.297
tors. eta vs tors. theta energy: -117.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -1500.109074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1500.109074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1500.109074 (E_RNA)
where:
Base-Base interactions energy: -1043.226
where: short stacking energy: -427.317
Base-Backbone interact. energy: -1.618
local terms energy: -455.265191
where:
bonds (distance) C4'-P energy: -80.478
bonds (distance) P-C4' energy: -91.704
flat angles C4'-P-C4' energy: -114.359
flat angles P-C4'-P energy: -59.667
tors. eta vs tors. theta energy: -109.057
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: 6
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -1313.724254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.724254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.724254 (E_RNA)
where:
Base-Base interactions energy: -896.420
where: short stacking energy: -384.810
Base-Backbone interact. energy: -1.107
local terms energy: -416.197112
where:
bonds (distance) C4'-P energy: -82.789
bonds (distance) P-C4' energy: -99.144
flat angles C4'-P-C4' energy: -83.442
flat angles P-C4'-P energy: -59.173
tors. eta vs tors. theta energy: -91.648
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: 5
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -1113.271225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1113.271225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1113.271225 (E_RNA)
where:
Base-Base interactions energy: -772.984
where: short stacking energy: -319.092
Base-Backbone interact. energy: -1.618
local terms energy: -338.669106
where:
bonds (distance) C4'-P energy: -69.229
bonds (distance) P-C4' energy: -71.311
flat angles C4'-P-C4' energy: -84.296
flat angles P-C4'-P energy: -50.152
tors. eta vs tors. theta energy: -63.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -771.309717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -771.309717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -771.309717 (E_RNA)
where:
Base-Base interactions energy: -437.205
where: short stacking energy: -215.410
Base-Backbone interact. energy: 0.462
local terms energy: -334.566934
where:
bonds (distance) C4'-P energy: -80.937
bonds (distance) P-C4' energy: -92.262
flat angles C4'-P-C4' energy: -76.354
flat angles P-C4'-P energy: -55.360
tors. eta vs tors. theta energy: -29.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -1962.207711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.207711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.207711 (E_RNA)
where:
Base-Base interactions energy: -1417.659
where: short stacking energy: -586.784
Base-Backbone interact. energy: 3.408
local terms energy: -547.956353
where:
bonds (distance) C4'-P energy: -103.988
bonds (distance) P-C4' energy: -97.843
flat angles C4'-P-C4' energy: -112.495
flat angles P-C4'-P energy: -70.631
tors. eta vs tors. theta energy: -162.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -1858.500416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1858.500416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1858.500416 (E_RNA)
where:
Base-Base interactions energy: -1337.557
where: short stacking energy: -560.136
Base-Backbone interact. energy: -0.269
local terms energy: -520.674372
where:
bonds (distance) C4'-P energy: -108.412
bonds (distance) P-C4' energy: -96.454
flat angles C4'-P-C4' energy: -97.275
flat angles P-C4'-P energy: -67.824
tors. eta vs tors. theta energy: -150.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -1757.891317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.891317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.891317 (E_RNA)
where:
Base-Base interactions energy: -1251.488
where: short stacking energy: -525.807
Base-Backbone interact. energy: -2.106
local terms energy: -504.297599
where:
bonds (distance) C4'-P energy: -92.740
bonds (distance) P-C4' energy: -87.113
flat angles C4'-P-C4' energy: -101.646
flat angles P-C4'-P energy: -79.565
tors. eta vs tors. theta energy: -143.233
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: 4
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -1698.254304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1698.254304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1698.254304 (E_RNA)
where:
Base-Base interactions energy: -1181.725
where: short stacking energy: -477.265
Base-Backbone interact. energy: -2.357
local terms energy: -514.172287
where:
bonds (distance) C4'-P energy: -106.096
bonds (distance) P-C4' energy: -101.916
flat angles C4'-P-C4' energy: -119.770
flat angles P-C4'-P energy: -64.302
tors. eta vs tors. theta energy: -122.088
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: 5, replica: 3
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -1642.789711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.789711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.789711 (E_RNA)
where:
Base-Base interactions energy: -1141.936
where: short stacking energy: -476.050
Base-Backbone interact. energy: -0.440
local terms energy: -500.413672
where:
bonds (distance) C4'-P energy: -92.115
bonds (distance) P-C4' energy: -86.395
flat angles C4'-P-C4' energy: -124.211
flat angles P-C4'-P energy: -63.321
tors. eta vs tors. theta energy: -134.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -1481.478538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1481.478538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1481.478538 (E_RNA)
where:
Base-Base interactions energy: -1030.055
where: short stacking energy: -422.332
Base-Backbone interact. energy: -2.409
local terms energy: -449.014190
where:
bonds (distance) C4'-P energy: -86.087
bonds (distance) P-C4' energy: -91.119
flat angles C4'-P-C4' energy: -103.508
flat angles P-C4'-P energy: -65.436
tors. eta vs tors. theta energy: -102.865
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: 9
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -1450.193428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.193428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.193428 (E_RNA)
where:
Base-Base interactions energy: -1014.298
where: short stacking energy: -429.384
Base-Backbone interact. energy: 0.169
local terms energy: -436.065190
where:
bonds (distance) C4'-P energy: -75.641
bonds (distance) P-C4' energy: -88.655
flat angles C4'-P-C4' energy: -88.792
flat angles P-C4'-P energy: -64.690
tors. eta vs tors. theta energy: -118.286
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: 439
Temperature: 1.250000
Total energy: -1315.744142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1315.744142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1315.744142 (E_RNA)
where:
Base-Base interactions energy: -925.437
where: short stacking energy: -380.128
Base-Backbone interact. energy: -0.728
local terms energy: -389.579304
where:
bonds (distance) C4'-P energy: -81.327
bonds (distance) P-C4' energy: -77.954
flat angles C4'-P-C4' energy: -90.705
flat angles P-C4'-P energy: -50.015
tors. eta vs tors. theta energy: -89.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -1044.838780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1044.838780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1044.838780 (E_RNA)
where:
Base-Base interactions energy: -697.233
where: short stacking energy: -273.860
Base-Backbone interact. energy: -2.071
local terms energy: -345.534155
where:
bonds (distance) C4'-P energy: -79.248
bonds (distance) P-C4' energy: -90.918
flat angles C4'-P-C4' energy: -66.663
flat angles P-C4'-P energy: -59.235
tors. eta vs tors. theta energy: -49.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -737.546691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -737.546691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -737.546691 (E_RNA)
where:
Base-Base interactions energy: -441.800
where: short stacking energy: -202.075
Base-Backbone interact. energy: -0.729
local terms energy: -295.017174
where:
bonds (distance) C4'-P energy: -71.100
bonds (distance) P-C4' energy: -68.963
flat angles C4'-P-C4' energy: -88.634
flat angles P-C4'-P energy: -44.811
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -1973.110534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.110534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.110534 (E_RNA)
where:
Base-Base interactions energy: -1401.093
where: short stacking energy: -552.130
Base-Backbone interact. energy: -6.104
local terms energy: -565.914202
where:
bonds (distance) C4'-P energy: -103.147
bonds (distance) P-C4' energy: -107.601
flat angles C4'-P-C4' energy: -125.411
flat angles P-C4'-P energy: -70.362
tors. eta vs tors. theta energy: -159.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -1880.207019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.207019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.207019 (E_RNA)
where:
Base-Base interactions energy: -1349.834
where: short stacking energy: -530.570
Base-Backbone interact. energy: -1.801
local terms energy: -528.571514
where:
bonds (distance) C4'-P energy: -96.630
bonds (distance) P-C4' energy: -99.437
flat angles C4'-P-C4' energy: -102.933
flat angles P-C4'-P energy: -79.103
tors. eta vs tors. theta energy: -150.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -1754.513421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1754.513421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1754.513421 (E_RNA)
where:
Base-Base interactions energy: -1216.346
where: short stacking energy: -512.997
Base-Backbone interact. energy: -1.529
local terms energy: -536.639134
where:
bonds (distance) C4'-P energy: -102.422
bonds (distance) P-C4' energy: -101.315
flat angles C4'-P-C4' energy: -111.602
flat angles P-C4'-P energy: -80.156
tors. eta vs tors. theta energy: -141.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -1695.451078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.451078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.451078 (E_RNA)
where:
Base-Base interactions energy: -1207.179
where: short stacking energy: -490.117
Base-Backbone interact. energy: 0.760
local terms energy: -489.032152
where:
bonds (distance) C4'-P energy: -107.970
bonds (distance) P-C4' energy: -93.336
flat angles C4'-P-C4' energy: -100.099
flat angles P-C4'-P energy: -58.879
tors. eta vs tors. theta energy: -128.748
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: 3
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -1636.785608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1636.785608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1636.785608 (E_RNA)
where:
Base-Base interactions energy: -1155.578
where: short stacking energy: -481.132
Base-Backbone interact. energy: -4.157
local terms energy: -477.050420
where:
bonds (distance) C4'-P energy: -84.522
bonds (distance) P-C4' energy: -86.413
flat angles C4'-P-C4' energy: -115.696
flat angles P-C4'-P energy: -63.060
tors. eta vs tors. theta energy: -127.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -1488.963988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.963988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.963988 (E_RNA)
where:
Base-Base interactions energy: -1050.763
where: short stacking energy: -446.341
Base-Backbone interact. energy: -2.147
local terms energy: -436.053757
where:
bonds (distance) C4'-P energy: -78.217
bonds (distance) P-C4' energy: -90.001
flat angles C4'-P-C4' energy: -96.993
flat angles P-C4'-P energy: -61.880
tors. eta vs tors. theta energy: -108.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -1456.771425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.771425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.771425 (E_RNA)
where:
Base-Base interactions energy: -1003.639
where: short stacking energy: -426.061
Base-Backbone interact. energy: -2.505
local terms energy: -450.626762
where:
bonds (distance) C4'-P energy: -72.200
bonds (distance) P-C4' energy: -90.525
flat angles C4'-P-C4' energy: -100.290
flat angles P-C4'-P energy: -76.820
tors. eta vs tors. theta energy: -110.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -1290.013510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.013510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.013510 (E_RNA)
where:
Base-Base interactions energy: -917.215
where: short stacking energy: -387.617
Base-Backbone interact. energy: -0.894
local terms energy: -371.904553
where:
bonds (distance) C4'-P energy: -68.343
bonds (distance) P-C4' energy: -74.459
flat angles C4'-P-C4' energy: -86.401
flat angles P-C4'-P energy: -49.219
tors. eta vs tors. theta energy: -93.483
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: 5
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -1100.134364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.134364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.134364 (E_RNA)
where:
Base-Base interactions energy: -715.488
where: short stacking energy: -322.174
Base-Backbone interact. energy: -1.157
local terms energy: -383.489252
where:
bonds (distance) C4'-P energy: -76.989
bonds (distance) P-C4' energy: -96.251
flat angles C4'-P-C4' energy: -86.353
flat angles P-C4'-P energy: -61.028
tors. eta vs tors. theta energy: -62.869
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: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -754.184462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -754.184462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -754.184462 (E_RNA)
where:
Base-Base interactions energy: -438.230
where: short stacking energy: -216.770
Base-Backbone interact. energy: -3.080
local terms energy: -312.873768
where:
bonds (distance) C4'-P energy: -76.692
bonds (distance) P-C4' energy: -95.579
flat angles C4'-P-C4' energy: -89.324
flat angles P-C4'-P energy: -35.059
tors. eta vs tors. theta energy: -16.221
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: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -1945.902473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.902473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.902473 (E_RNA)
where:
Base-Base interactions energy: -1370.721
where: short stacking energy: -566.936
Base-Backbone interact. energy: -2.966
local terms energy: -572.215391
where:
bonds (distance) C4'-P energy: -101.709
bonds (distance) P-C4' energy: -103.799
flat angles C4'-P-C4' energy: -117.998
flat angles P-C4'-P energy: -83.319
tors. eta vs tors. theta energy: -165.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -1918.796776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1918.796776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1918.796776 (E_RNA)
where:
Base-Base interactions energy: -1343.730
where: short stacking energy: -525.480
Base-Backbone interact. energy: -1.491
local terms energy: -573.575668
where:
bonds (distance) C4'-P energy: -103.354
bonds (distance) P-C4' energy: -110.391
flat angles C4'-P-C4' energy: -118.938
flat angles P-C4'-P energy: -84.070
tors. eta vs tors. theta energy: -156.823
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: 8
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -1774.417478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.417478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.417478 (E_RNA)
where:
Base-Base interactions energy: -1266.400
where: short stacking energy: -512.166
Base-Backbone interact. energy: -2.303
local terms energy: -505.714098
where:
bonds (distance) C4'-P energy: -97.486
bonds (distance) P-C4' energy: -94.223
flat angles C4'-P-C4' energy: -94.975
flat angles P-C4'-P energy: -76.637
tors. eta vs tors. theta energy: -142.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -1720.773887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.773887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.773887 (E_RNA)
where:
Base-Base interactions energy: -1224.382
where: short stacking energy: -481.531
Base-Backbone interact. energy: -0.435
local terms energy: -495.957069
where:
bonds (distance) C4'-P energy: -85.441
bonds (distance) P-C4' energy: -98.600
flat angles C4'-P-C4' energy: -112.388
flat angles P-C4'-P energy: -59.598
tors. eta vs tors. theta energy: -139.929
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: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -1662.476396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1662.476396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1662.476396 (E_RNA)
where:
Base-Base interactions energy: -1178.969
where: short stacking energy: -495.308
Base-Backbone interact. energy: -4.568
local terms energy: -478.939816
where:
bonds (distance) C4'-P energy: -91.969
bonds (distance) P-C4' energy: -87.655
flat angles C4'-P-C4' energy: -106.908
flat angles P-C4'-P energy: -64.293
tors. eta vs tors. theta energy: -128.114
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: 9
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -1511.784764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.784764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.784764 (E_RNA)
where:
Base-Base interactions energy: -1069.828
where: short stacking energy: -444.673
Base-Backbone interact. energy: 1.640
local terms energy: -443.596772
where:
bonds (distance) C4'-P energy: -90.584
bonds (distance) P-C4' energy: -78.594
flat angles C4'-P-C4' energy: -101.526
flat angles P-C4'-P energy: -74.140
tors. eta vs tors. theta energy: -98.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -1460.932378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.932378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.932378 (E_RNA)
where:
Base-Base interactions energy: -1007.633
where: short stacking energy: -455.260
Base-Backbone interact. energy: 3.728
local terms energy: -457.027480
where:
bonds (distance) C4'-P energy: -81.295
bonds (distance) P-C4' energy: -94.085
flat angles C4'-P-C4' energy: -110.097
flat angles P-C4'-P energy: -55.465
tors. eta vs tors. theta energy: -116.085
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: 6
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -1301.073197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1301.073197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1301.073197 (E_RNA)
where:
Base-Base interactions energy: -869.182
where: short stacking energy: -350.501
Base-Backbone interact. energy: -0.533
local terms energy: -431.358627
where:
bonds (distance) C4'-P energy: -100.607
bonds (distance) P-C4' energy: -86.649
flat angles C4'-P-C4' energy: -99.523
flat angles P-C4'-P energy: -62.716
tors. eta vs tors. theta energy: -81.864
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: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -1078.079946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1078.079946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1078.079946 (E_RNA)
where:
Base-Base interactions energy: -714.401
where: short stacking energy: -300.449
Base-Backbone interact. energy: -1.490
local terms energy: -362.188495
where:
bonds (distance) C4'-P energy: -77.550
bonds (distance) P-C4' energy: -87.912
flat angles C4'-P-C4' energy: -92.472
flat angles P-C4'-P energy: -61.579
tors. eta vs tors. theta energy: -42.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -772.548082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -772.548082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -772.548082 (E_RNA)
where:
Base-Base interactions energy: -467.517
where: short stacking energy: -241.847
Base-Backbone interact. energy: -2.396
local terms energy: -302.634898
where:
bonds (distance) C4'-P energy: -75.828
bonds (distance) P-C4' energy: -86.889
flat angles C4'-P-C4' energy: -72.457
flat angles P-C4'-P energy: -40.341
tors. eta vs tors. theta energy: -27.120
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: 1
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -1932.345588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1932.345588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1932.345588 (E_RNA)
where:
Base-Base interactions energy: -1346.631
where: short stacking energy: -550.254
Base-Backbone interact. energy: -0.824
local terms energy: -584.891081
where:
bonds (distance) C4'-P energy: -106.450
bonds (distance) P-C4' energy: -108.489
flat angles C4'-P-C4' energy: -122.147
flat angles P-C4'-P energy: -93.401
tors. eta vs tors. theta energy: -154.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -1912.025472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1912.025472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1912.025472 (E_RNA)
where:
Base-Base interactions energy: -1382.820
where: short stacking energy: -546.042
Base-Backbone interact. energy: -1.665
local terms energy: -527.540546
where:
bonds (distance) C4'-P energy: -91.633
bonds (distance) P-C4' energy: -88.580
flat angles C4'-P-C4' energy: -115.971
flat angles P-C4'-P energy: -82.313
tors. eta vs tors. theta energy: -149.044
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: 8
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -1786.836036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.836036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.836036 (E_RNA)
where:
Base-Base interactions energy: -1259.615
where: short stacking energy: -506.402
Base-Backbone interact. energy: -2.606
local terms energy: -524.615285
where:
bonds (distance) C4'-P energy: -111.216
bonds (distance) P-C4' energy: -88.275
flat angles C4'-P-C4' energy: -111.317
flat angles P-C4'-P energy: -72.478
tors. eta vs tors. theta energy: -141.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -1670.070051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1670.070051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1670.070051 (E_RNA)
where:
Base-Base interactions energy: -1189.561
where: short stacking energy: -485.462
Base-Backbone interact. energy: 0.777
local terms energy: -481.285699
where:
bonds (distance) C4'-P energy: -96.507
bonds (distance) P-C4' energy: -77.276
flat angles C4'-P-C4' energy: -107.880
flat angles P-C4'-P energy: -65.553
tors. eta vs tors. theta energy: -134.070
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: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -1701.269397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1701.269397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1701.269397 (E_RNA)
where:
Base-Base interactions energy: -1184.105
where: short stacking energy: -485.400
Base-Backbone interact. energy: -1.593
local terms energy: -515.571442
where:
bonds (distance) C4'-P energy: -80.299
bonds (distance) P-C4' energy: -107.887
flat angles C4'-P-C4' energy: -113.310
flat angles P-C4'-P energy: -76.497
tors. eta vs tors. theta energy: -137.579
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: 6, replica: 9
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -1478.805679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1478.805679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1478.805679 (E_RNA)
where:
Base-Base interactions energy: -1008.680
where: short stacking energy: -440.695
Base-Backbone interact. energy: 0.782
local terms energy: -470.907809
where:
bonds (distance) C4'-P energy: -83.433
bonds (distance) P-C4' energy: -103.529
flat angles C4'-P-C4' energy: -105.521
flat angles P-C4'-P energy: -66.439
tors. eta vs tors. theta energy: -111.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -1461.901394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1461.901394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1461.901394 (E_RNA)
where:
Base-Base interactions energy: -1035.819
where: short stacking energy: -420.373
Base-Backbone interact. energy: 0.368
local terms energy: -426.450565
where:
bonds (distance) C4'-P energy: -88.829
bonds (distance) P-C4' energy: -65.765
flat angles C4'-P-C4' energy: -106.866
flat angles P-C4'-P energy: -58.219
tors. eta vs tors. theta energy: -106.772
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: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -1309.262559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.262559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.262559 (E_RNA)
where:
Base-Base interactions energy: -912.705
where: short stacking energy: -372.052
Base-Backbone interact. energy: 2.090
local terms energy: -398.647652
where:
bonds (distance) C4'-P energy: -86.651
bonds (distance) P-C4' energy: -83.790
flat angles C4'-P-C4' energy: -86.457
flat angles P-C4'-P energy: -51.879
tors. eta vs tors. theta energy: -89.871
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: 5
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -1060.653210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1060.653210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1060.653210 (E_RNA)
where:
Base-Base interactions energy: -694.168
where: short stacking energy: -298.702
Base-Backbone interact. energy: -1.977
local terms energy: -364.508334
where:
bonds (distance) C4'-P energy: -74.596
bonds (distance) P-C4' energy: -85.755
flat angles C4'-P-C4' energy: -86.852
flat angles P-C4'-P energy: -58.911
tors. eta vs tors. theta energy: -58.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -835.396027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.396027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.396027 (E_RNA)
where:
Base-Base interactions energy: -499.368
where: short stacking energy: -214.752
Base-Backbone interact. energy: 1.039
local terms energy: -337.066178
where:
bonds (distance) C4'-P energy: -80.636
bonds (distance) P-C4' energy: -95.491
flat angles C4'-P-C4' energy: -82.426
flat angles P-C4'-P energy: -53.050
tors. eta vs tors. theta energy: -25.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -1930.600043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.600043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.600043 (E_RNA)
where:
Base-Base interactions energy: -1362.754
where: short stacking energy: -552.342
Base-Backbone interact. energy: 0.851
local terms energy: -568.696838
where:
bonds (distance) C4'-P energy: -107.916
bonds (distance) P-C4' energy: -104.686
flat angles C4'-P-C4' energy: -121.566
flat angles P-C4'-P energy: -80.908
tors. eta vs tors. theta energy: -153.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -1916.378741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1916.378741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1916.378741 (E_RNA)
where:
Base-Base interactions energy: -1378.958
where: short stacking energy: -537.215
Base-Backbone interact. energy: -1.172
local terms energy: -536.249390
where:
bonds (distance) C4'-P energy: -95.506
bonds (distance) P-C4' energy: -96.111
flat angles C4'-P-C4' energy: -122.501
flat angles P-C4'-P energy: -71.877
tors. eta vs tors. theta energy: -150.255
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: 3, replica: 8
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -1771.432171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.432171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.432171 (E_RNA)
where:
Base-Base interactions energy: -1248.344
where: short stacking energy: -493.988
Base-Backbone interact. energy: -1.946
local terms energy: -521.142029
where:
bonds (distance) C4'-P energy: -104.540
bonds (distance) P-C4' energy: -95.250
flat angles C4'-P-C4' energy: -103.568
flat angles P-C4'-P energy: -81.061
tors. eta vs tors. theta energy: -136.723
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: 4, replica: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -1735.759472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1735.759472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1735.759472 (E_RNA)
where:
Base-Base interactions energy: -1214.624
where: short stacking energy: -522.876
Base-Backbone interact. energy: 1.368
local terms energy: -522.503995
where:
bonds (distance) C4'-P energy: -89.455
bonds (distance) P-C4' energy: -101.926
flat angles C4'-P-C4' energy: -114.731
flat angles P-C4'-P energy: -76.744
tors. eta vs tors. theta energy: -139.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -1664.921181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.921181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.921181 (E_RNA)
where:
Base-Base interactions energy: -1180.203
where: short stacking energy: -463.317
Base-Backbone interact. energy: 2.456
local terms energy: -487.173725
where:
bonds (distance) C4'-P energy: -86.269
bonds (distance) P-C4' energy: -96.611
flat angles C4'-P-C4' energy: -106.000
flat angles P-C4'-P energy: -80.435
tors. eta vs tors. theta energy: -117.859
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: 9
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -1493.528600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1493.528600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1493.528600 (E_RNA)
where:
Base-Base interactions energy: -1051.584
where: short stacking energy: -442.499
Base-Backbone interact. energy: -3.516
local terms energy: -438.427910
where:
bonds (distance) C4'-P energy: -78.284
bonds (distance) P-C4' energy: -93.041
flat angles C4'-P-C4' energy: -93.337
flat angles P-C4'-P energy: -64.995
tors. eta vs tors. theta energy: -108.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -1460.239091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1460.239091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1460.239091 (E_RNA)
where:
Base-Base interactions energy: -1013.196
where: short stacking energy: -425.080
Base-Backbone interact. energy: -1.497
local terms energy: -445.546123
where:
bonds (distance) C4'-P energy: -88.120
bonds (distance) P-C4' energy: -84.969
flat angles C4'-P-C4' energy: -102.635
flat angles P-C4'-P energy: -62.096
tors. eta vs tors. theta energy: -107.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -1294.562489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1294.562489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1294.562489 (E_RNA)
where:
Base-Base interactions energy: -881.853
where: short stacking energy: -364.611
Base-Backbone interact. energy: -2.352
local terms energy: -410.357688
where:
bonds (distance) C4'-P energy: -85.271
bonds (distance) P-C4' energy: -86.384
flat angles C4'-P-C4' energy: -87.613
flat angles P-C4'-P energy: -63.041
tors. eta vs tors. theta energy: -88.048
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: 9, replica: 5
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -1072.307635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.307635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.307635 (E_RNA)
where:
Base-Base interactions energy: -686.592
where: short stacking energy: -266.777
Base-Backbone interact. energy: 1.830
local terms energy: -387.545764
where:
bonds (distance) C4'-P energy: -92.801
bonds (distance) P-C4' energy: -87.249
flat angles C4'-P-C4' energy: -100.386
flat angles P-C4'-P energy: -45.391
tors. eta vs tors. theta energy: -61.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -826.688188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -826.688188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -826.688188 (E_RNA)
where:
Base-Base interactions energy: -515.898
where: short stacking energy: -241.799
Base-Backbone interact. energy: -1.975
local terms energy: -308.815120
where:
bonds (distance) C4'-P energy: -75.007
bonds (distance) P-C4' energy: -75.958
flat angles C4'-P-C4' energy: -71.749
flat angles P-C4'-P energy: -48.513
tors. eta vs tors. theta energy: -37.587
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: 1
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -1945.790235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1945.790235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1945.790235 (E_RNA)
where:
Base-Base interactions energy: -1390.597
where: short stacking energy: -541.785
Base-Backbone interact. energy: -1.795
local terms energy: -553.398205
where:
bonds (distance) C4'-P energy: -97.046
bonds (distance) P-C4' energy: -110.324
flat angles C4'-P-C4' energy: -111.807
flat angles P-C4'-P energy: -76.242
tors. eta vs tors. theta energy: -157.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -1905.414449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.414449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.414449 (E_RNA)
where:
Base-Base interactions energy: -1352.866
where: short stacking energy: -551.542
Base-Backbone interact. energy: 0.529
local terms energy: -553.077353
where:
bonds (distance) C4'-P energy: -100.900
bonds (distance) P-C4' energy: -104.546
flat angles C4'-P-C4' energy: -120.468
flat angles P-C4'-P energy: -76.307
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: 3, replica: 3
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -1770.162990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1770.162990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1770.162990 (E_RNA)
where:
Base-Base interactions energy: -1249.056
where: short stacking energy: -504.687
Base-Backbone interact. energy: -2.999
local terms energy: -518.107786
where:
bonds (distance) C4'-P energy: -92.163
bonds (distance) P-C4' energy: -96.924
flat angles C4'-P-C4' energy: -112.258
flat angles P-C4'-P energy: -75.032
tors. eta vs tors. theta energy: -141.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -1777.989288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1777.989288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1777.989288 (E_RNA)
where:
Base-Base interactions energy: -1272.320
where: short stacking energy: -527.917
Base-Backbone interact. energy: 0.564
local terms energy: -506.234090
where:
bonds (distance) C4'-P energy: -95.936
bonds (distance) P-C4' energy: -91.758
flat angles C4'-P-C4' energy: -117.667
flat angles P-C4'-P energy: -66.788
tors. eta vs tors. theta energy: -134.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -1628.605873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.605873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.605873 (E_RNA)
where:
Base-Base interactions energy: -1168.746
where: short stacking energy: -453.750
Base-Backbone interact. energy: 0.174
local terms energy: -460.033530
where:
bonds (distance) C4'-P energy: -71.159
bonds (distance) P-C4' energy: -97.205
flat angles C4'-P-C4' energy: -100.158
flat angles P-C4'-P energy: -74.559
tors. eta vs tors. theta energy: -116.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -1482.370164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1482.370164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1482.370164 (E_RNA)
where:
Base-Base interactions energy: -1028.713
where: short stacking energy: -433.285
Base-Backbone interact. energy: -0.078
local terms energy: -453.578902
where:
bonds (distance) C4'-P energy: -90.048
bonds (distance) P-C4' energy: -94.038
flat angles C4'-P-C4' energy: -105.678
flat angles P-C4'-P energy: -58.858
tors. eta vs tors. theta energy: -104.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -1455.285246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1455.285246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1455.285246 (E_RNA)
where:
Base-Base interactions energy: -1020.028
where: short stacking energy: -416.919
Base-Backbone interact. energy: 3.533
local terms energy: -438.789608
where:
bonds (distance) C4'-P energy: -68.123
bonds (distance) P-C4' energy: -89.864
flat angles C4'-P-C4' energy: -106.292
flat angles P-C4'-P energy: -66.040
tors. eta vs tors. theta energy: -108.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -1308.923484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.923484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.923484 (E_RNA)
where:
Base-Base interactions energy: -888.659
where: short stacking energy: -388.329
Base-Backbone interact. energy: -0.722
local terms energy: -419.542768
where:
bonds (distance) C4'-P energy: -83.488
bonds (distance) P-C4' energy: -86.953
flat angles C4'-P-C4' energy: -88.874
flat angles P-C4'-P energy: -63.816
tors. eta vs tors. theta energy: -96.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -1103.473707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1103.473707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1103.473707 (E_RNA)
where:
Base-Base interactions energy: -731.191
where: short stacking energy: -306.188
Base-Backbone interact. energy: -2.558
local terms energy: -369.725652
where:
bonds (distance) C4'-P energy: -75.343
bonds (distance) P-C4' energy: -82.125
flat angles C4'-P-C4' energy: -87.231
flat angles P-C4'-P energy: -59.603
tors. eta vs tors. theta energy: -65.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -828.746616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.746616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.746616 (E_RNA)
where:
Base-Base interactions energy: -501.744
where: short stacking energy: -242.038
Base-Backbone interact. energy: -1.080
local terms energy: -325.922768
where:
bonds (distance) C4'-P energy: -76.004
bonds (distance) P-C4' energy: -82.307
flat angles C4'-P-C4' energy: -79.264
flat angles P-C4'-P energy: -50.054
tors. eta vs tors. theta energy: -38.292
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: 1
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -1929.696338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1929.696338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1929.696338 (E_RNA)
where:
Base-Base interactions energy: -1376.965
where: short stacking energy: -546.965
Base-Backbone interact. energy: -1.669
local terms energy: -551.061795
where:
bonds (distance) C4'-P energy: -99.628
bonds (distance) P-C4' energy: -108.759
flat angles C4'-P-C4' energy: -122.054
flat angles P-C4'-P energy: -77.848
tors. eta vs tors. theta energy: -142.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -1905.418835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1905.418835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1905.418835 (E_RNA)
where:
Base-Base interactions energy: -1366.008
where: short stacking energy: -532.287
Base-Backbone interact. energy: 1.125
local terms energy: -540.535545
where:
bonds (distance) C4'-P energy: -99.353
bonds (distance) P-C4' energy: -108.332
flat angles C4'-P-C4' energy: -110.260
flat angles P-C4'-P energy: -71.595
tors. eta vs tors. theta energy: -150.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -1751.478217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1751.478217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1751.478217 (E_RNA)
where:
Base-Base interactions energy: -1223.693
where: short stacking energy: -487.019
Base-Backbone interact. energy: -2.879
local terms energy: -524.906731
where:
bonds (distance) C4'-P energy: -106.757
bonds (distance) P-C4' energy: -107.144
flat angles C4'-P-C4' energy: -109.890
flat angles P-C4'-P energy: -66.206
tors. eta vs tors. theta energy: -134.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -1737.343543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1737.343543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1737.343543 (E_RNA)
where:
Base-Base interactions energy: -1260.060
where: short stacking energy: -504.310
Base-Backbone interact. energy: 0.390
local terms energy: -477.673092
where:
bonds (distance) C4'-P energy: -84.852
bonds (distance) P-C4' energy: -82.882
flat angles C4'-P-C4' energy: -105.144
flat angles P-C4'-P energy: -79.088
tors. eta vs tors. theta energy: -125.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -1652.660293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1652.660293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1652.660293 (E_RNA)
where:
Base-Base interactions energy: -1141.403
where: short stacking energy: -475.153
Base-Backbone interact. energy: 0.165
local terms energy: -511.422247
where:
bonds (distance) C4'-P energy: -101.074
bonds (distance) P-C4' energy: -95.563
flat angles C4'-P-C4' energy: -102.217
flat angles P-C4'-P energy: -79.506
tors. eta vs tors. theta energy: -133.062
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: 9
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -1457.653455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.653455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.653455 (E_RNA)
where:
Base-Base interactions energy: -998.995
where: short stacking energy: -414.784
Base-Backbone interact. energy: -2.004
local terms energy: -456.654131
where:
bonds (distance) C4'-P energy: -87.702
bonds (distance) P-C4' energy: -102.792
flat angles C4'-P-C4' energy: -100.185
flat angles P-C4'-P energy: -69.910
tors. eta vs tors. theta energy: -96.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -1471.187773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1471.187773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1471.187773 (E_RNA)
where:
Base-Base interactions energy: -1014.192
where: short stacking energy: -428.459
Base-Backbone interact. energy: 1.724
local terms energy: -458.719724
where:
bonds (distance) C4'-P energy: -84.314
bonds (distance) P-C4' energy: -90.206
flat angles C4'-P-C4' energy: -102.149
flat angles P-C4'-P energy: -71.977
tors. eta vs tors. theta energy: -110.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -1367.546663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1367.546663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1367.546663 (E_RNA)
where:
Base-Base interactions energy: -959.396
where: short stacking energy: -418.146
Base-Backbone interact. energy: -2.307
local terms energy: -405.843782
where:
bonds (distance) C4'-P energy: -69.049
bonds (distance) P-C4' energy: -80.237
flat angles C4'-P-C4' energy: -79.656
flat angles P-C4'-P energy: -66.845
tors. eta vs tors. theta energy: -110.057
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: 5
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -1083.471184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1083.471184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1083.471184 (E_RNA)
where:
Base-Base interactions energy: -718.097
where: short stacking energy: -315.478
Base-Backbone interact. energy: -0.576
local terms energy: -364.798459
where:
bonds (distance) C4'-P energy: -70.186
bonds (distance) P-C4' energy: -91.554
flat angles C4'-P-C4' energy: -82.590
flat angles P-C4'-P energy: -51.565
tors. eta vs tors. theta energy: -68.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -770.313622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -770.313622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -770.313622 (E_RNA)
where:
Base-Base interactions energy: -454.752
where: short stacking energy: -233.100
Base-Backbone interact. energy: 1.479
local terms energy: -317.040593
where:
bonds (distance) C4'-P energy: -88.580
bonds (distance) P-C4' energy: -76.518
flat angles C4'-P-C4' energy: -76.567
flat angles P-C4'-P energy: -58.671
tors. eta vs tors. theta energy: -16.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -1962.383658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1962.383658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1962.383658 (E_RNA)
where:
Base-Base interactions energy: -1384.866
where: short stacking energy: -563.623
Base-Backbone interact. energy: -3.915
local terms energy: -573.602185
where:
bonds (distance) C4'-P energy: -103.577
bonds (distance) P-C4' energy: -106.669
flat angles C4'-P-C4' energy: -125.063
flat angles P-C4'-P energy: -81.084
tors. eta vs tors. theta energy: -157.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -1900.675529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.675529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.675529 (E_RNA)
where:
Base-Base interactions energy: -1359.011
where: short stacking energy: -527.025
Base-Backbone interact. energy: 1.230
local terms energy: -542.893555
where:
bonds (distance) C4'-P energy: -101.422
bonds (distance) P-C4' energy: -99.798
flat angles C4'-P-C4' energy: -123.749
flat angles P-C4'-P energy: -78.984
tors. eta vs tors. theta energy: -138.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -1786.518423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1786.518423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1786.518423 (E_RNA)
where:
Base-Base interactions energy: -1248.429
where: short stacking energy: -525.210
Base-Backbone interact. energy: -2.155
local terms energy: -535.934620
where:
bonds (distance) C4'-P energy: -106.248
bonds (distance) P-C4' energy: -100.348
flat angles C4'-P-C4' energy: -111.850
flat angles P-C4'-P energy: -68.113
tors. eta vs tors. theta energy: -149.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -1732.023931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1732.023931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1732.023931 (E_RNA)
where:
Base-Base interactions energy: -1231.354
where: short stacking energy: -487.689
Base-Backbone interact. energy: -3.181
local terms energy: -497.488601
where:
bonds (distance) C4'-P energy: -97.315
bonds (distance) P-C4' energy: -101.210
flat angles C4'-P-C4' energy: -113.070
flat angles P-C4'-P energy: -61.096
tors. eta vs tors. theta energy: -124.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -1635.595344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1635.595344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1635.595344 (E_RNA)
where:
Base-Base interactions energy: -1137.626
where: short stacking energy: -463.650
Base-Backbone interact. energy: -0.016
local terms energy: -497.952978
where:
bonds (distance) C4'-P energy: -91.155
bonds (distance) P-C4' energy: -98.681
flat angles C4'-P-C4' energy: -107.862
flat angles P-C4'-P energy: -81.516
tors. eta vs tors. theta energy: -118.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -1469.467945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.467945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.467945 (E_RNA)
where:
Base-Base interactions energy: -1015.259
where: short stacking energy: -401.422
Base-Backbone interact. energy: 0.126
local terms energy: -454.335496
where:
bonds (distance) C4'-P energy: -82.979
bonds (distance) P-C4' energy: -97.520
flat angles C4'-P-C4' energy: -87.471
flat angles P-C4'-P energy: -78.945
tors. eta vs tors. theta energy: -107.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -1501.981943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.981943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.981943 (E_RNA)
where:
Base-Base interactions energy: -1040.418
where: short stacking energy: -443.165
Base-Backbone interact. energy: 0.967
local terms energy: -462.531156
where:
bonds (distance) C4'-P energy: -79.713
bonds (distance) P-C4' energy: -98.292
flat angles C4'-P-C4' energy: -98.711
flat angles P-C4'-P energy: -61.278
tors. eta vs tors. theta energy: -124.538
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: 446
Temperature: 1.250000
Total energy: -1341.215727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1341.215727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1341.215727 (E_RNA)
where:
Base-Base interactions energy: -919.289
where: short stacking energy: -406.019
Base-Backbone interact. energy: -1.549
local terms energy: -420.377825
where:
bonds (distance) C4'-P energy: -88.462
bonds (distance) P-C4' energy: -81.977
flat angles C4'-P-C4' energy: -86.272
flat angles P-C4'-P energy: -48.683
tors. eta vs tors. theta energy: -114.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -1054.203587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1054.203587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1054.203587 (E_RNA)
where:
Base-Base interactions energy: -669.821
where: short stacking energy: -295.081
Base-Backbone interact. energy: -1.584
local terms energy: -382.799093
where:
bonds (distance) C4'-P energy: -86.554
bonds (distance) P-C4' energy: -94.759
flat angles C4'-P-C4' energy: -83.388
flat angles P-C4'-P energy: -63.324
tors. eta vs tors. theta energy: -54.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -776.345074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -776.345074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -776.345074 (E_RNA)
where:
Base-Base interactions energy: -444.380
where: short stacking energy: -213.083
Base-Backbone interact. energy: -3.136
local terms energy: -328.828618
where:
bonds (distance) C4'-P energy: -85.145
bonds (distance) P-C4' energy: -94.292
flat angles C4'-P-C4' energy: -72.231
flat angles P-C4'-P energy: -54.691
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: 2
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -1956.834635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.834635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.834635 (E_RNA)
where:
Base-Base interactions energy: -1396.033
where: short stacking energy: -559.885
Base-Backbone interact. energy: 1.609
local terms energy: -562.410056
where:
bonds (distance) C4'-P energy: -97.281
bonds (distance) P-C4' energy: -107.002
flat angles C4'-P-C4' energy: -119.959
flat angles P-C4'-P energy: -76.309
tors. eta vs tors. theta energy: -161.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -1867.142036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.142036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.142036 (E_RNA)
where:
Base-Base interactions energy: -1325.089
where: short stacking energy: -533.551
Base-Backbone interact. energy: -2.807
local terms energy: -539.246153
where:
bonds (distance) C4'-P energy: -98.874
bonds (distance) P-C4' energy: -108.420
flat angles C4'-P-C4' energy: -117.545
flat angles P-C4'-P energy: -76.621
tors. eta vs tors. theta energy: -137.787
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: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -1784.630776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1784.630776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1784.630776 (E_RNA)
where:
Base-Base interactions energy: -1245.199
where: short stacking energy: -524.014
Base-Backbone interact. energy: -2.000
local terms energy: -537.431697
where:
bonds (distance) C4'-P energy: -108.478
bonds (distance) P-C4' energy: -92.040
flat angles C4'-P-C4' energy: -112.149
flat angles P-C4'-P energy: -80.117
tors. eta vs tors. theta energy: -144.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -1780.737249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.737249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.737249 (E_RNA)
where:
Base-Base interactions energy: -1276.633
where: short stacking energy: -509.869
Base-Backbone interact. energy: -1.775
local terms energy: -502.328891
where:
bonds (distance) C4'-P energy: -94.502
bonds (distance) P-C4' energy: -88.574
flat angles C4'-P-C4' energy: -113.659
flat angles P-C4'-P energy: -75.305
tors. eta vs tors. theta energy: -130.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -1642.352365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1642.352365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1642.352365 (E_RNA)
where:
Base-Base interactions energy: -1152.432
where: short stacking energy: -472.519
Base-Backbone interact. energy: -1.070
local terms energy: -488.849895
where:
bonds (distance) C4'-P energy: -93.651
bonds (distance) P-C4' energy: -92.084
flat angles C4'-P-C4' energy: -107.200
flat angles P-C4'-P energy: -62.688
tors. eta vs tors. theta energy: -133.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -1546.824041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.824041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.824041 (E_RNA)
where:
Base-Base interactions energy: -1088.302
where: short stacking energy: -454.083
Base-Backbone interact. energy: 0.989
local terms energy: -459.510354
where:
bonds (distance) C4'-P energy: -79.766
bonds (distance) P-C4' energy: -92.926
flat angles C4'-P-C4' energy: -106.824
flat angles P-C4'-P energy: -58.207
tors. eta vs tors. theta energy: -121.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -1393.119566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1393.119566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1393.119566 (E_RNA)
where:
Base-Base interactions energy: -945.326
where: short stacking energy: -416.409
Base-Backbone interact. energy: -2.433
local terms energy: -445.360024
where:
bonds (distance) C4'-P energy: -84.091
bonds (distance) P-C4' energy: -88.206
flat angles C4'-P-C4' energy: -95.801
flat angles P-C4'-P energy: -64.869
tors. eta vs tors. theta energy: -112.393
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: 8, replica: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -1314.355595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1314.355595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1314.355595 (E_RNA)
where:
Base-Base interactions energy: -904.025
where: short stacking energy: -372.653
Base-Backbone interact. energy: -1.583
local terms energy: -408.747313
where:
bonds (distance) C4'-P energy: -83.859
bonds (distance) P-C4' energy: -94.103
flat angles C4'-P-C4' energy: -89.172
flat angles P-C4'-P energy: -49.897
tors. eta vs tors. theta energy: -91.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -1048.351613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1048.351613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1048.351613 (E_RNA)
where:
Base-Base interactions energy: -699.965
where: short stacking energy: -288.984
Base-Backbone interact. energy: -1.011
local terms energy: -347.376225
where:
bonds (distance) C4'-P energy: -78.295
bonds (distance) P-C4' energy: -77.792
flat angles C4'-P-C4' energy: -83.507
flat angles P-C4'-P energy: -54.194
tors. eta vs tors. theta energy: -53.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -803.958924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.958924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.958924 (E_RNA)
where:
Base-Base interactions energy: -495.909
where: short stacking energy: -219.011
Base-Backbone interact. energy: 0.743
local terms energy: -308.792022
where:
bonds (distance) C4'-P energy: -87.739
bonds (distance) P-C4' energy: -90.695
flat angles C4'-P-C4' energy: -67.859
flat angles P-C4'-P energy: -35.982
tors. eta vs tors. theta energy: -26.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -1950.118906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1950.118906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1950.118906 (E_RNA)
where:
Base-Base interactions energy: -1381.829
where: short stacking energy: -538.530
Base-Backbone interact. energy: -4.318
local terms energy: -563.972078
where:
bonds (distance) C4'-P energy: -105.415
bonds (distance) P-C4' energy: -101.687
flat angles C4'-P-C4' energy: -112.588
flat angles P-C4'-P energy: -90.846
tors. eta vs tors. theta energy: -153.436
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: 2, replica: 1
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -1893.743223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1893.743223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1893.743223 (E_RNA)
where:
Base-Base interactions energy: -1363.091
where: short stacking energy: -547.763
Base-Backbone interact. energy: -0.574
local terms energy: -530.078332
where:
bonds (distance) C4'-P energy: -90.949
bonds (distance) P-C4' energy: -105.037
flat angles C4'-P-C4' energy: -110.956
flat angles P-C4'-P energy: -75.834
tors. eta vs tors. theta energy: -147.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -1757.379758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1757.379758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1757.379758 (E_RNA)
where:
Base-Base interactions energy: -1235.416
where: short stacking energy: -509.301
Base-Backbone interact. energy: -1.911
local terms energy: -520.052413
where:
bonds (distance) C4'-P energy: -91.877
bonds (distance) P-C4' energy: -102.246
flat angles C4'-P-C4' energy: -121.874
flat angles P-C4'-P energy: -64.088
tors. eta vs tors. theta energy: -139.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -1741.917205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1741.917205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1741.917205 (E_RNA)
where:
Base-Base interactions energy: -1230.323
where: short stacking energy: -515.065
Base-Backbone interact. energy: 1.292
local terms energy: -512.885842
where:
bonds (distance) C4'-P energy: -94.539
bonds (distance) P-C4' energy: -102.845
flat angles C4'-P-C4' energy: -92.850
flat angles P-C4'-P energy: -73.825
tors. eta vs tors. theta energy: -148.827
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: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -1590.776984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.776984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.776984 (E_RNA)
where:
Base-Base interactions energy: -1111.595
where: short stacking energy: -436.739
Base-Backbone interact. energy: -0.933
local terms energy: -478.249147
where:
bonds (distance) C4'-P energy: -87.963
bonds (distance) P-C4' energy: -96.101
flat angles C4'-P-C4' energy: -108.072
flat angles P-C4'-P energy: -69.817
tors. eta vs tors. theta energy: -116.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -1555.395089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1555.395089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1555.395089 (E_RNA)
where:
Base-Base interactions energy: -1072.629
where: short stacking energy: -429.262
Base-Backbone interact. energy: -0.717
local terms energy: -482.049097
where:
bonds (distance) C4'-P energy: -85.270
bonds (distance) P-C4' energy: -101.688
flat angles C4'-P-C4' energy: -110.901
flat angles P-C4'-P energy: -66.573
tors. eta vs tors. theta energy: -117.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -1352.391240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1352.391240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1352.391240 (E_RNA)
where:
Base-Base interactions energy: -934.149
where: short stacking energy: -399.290
Base-Backbone interact. energy: -0.090
local terms energy: -418.151766
where:
bonds (distance) C4'-P energy: -78.270
bonds (distance) P-C4' energy: -83.714
flat angles C4'-P-C4' energy: -92.706
flat angles P-C4'-P energy: -58.482
tors. eta vs tors. theta energy: -104.981
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: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -1329.218147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1329.218147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1329.218147 (E_RNA)
where:
Base-Base interactions energy: -913.424
where: short stacking energy: -389.629
Base-Backbone interact. energy: 2.034
local terms energy: -417.828946
where:
bonds (distance) C4'-P energy: -83.724
bonds (distance) P-C4' energy: -85.359
flat angles C4'-P-C4' energy: -90.921
flat angles P-C4'-P energy: -65.163
tors. eta vs tors. theta energy: -92.662
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: 5
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -1072.887038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.887038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.887038 (E_RNA)
where:
Base-Base interactions energy: -718.678
where: short stacking energy: -310.268
Base-Backbone interact. energy: 4.615
local terms energy: -358.824567
where:
bonds (distance) C4'-P energy: -80.624
bonds (distance) P-C4' energy: -77.670
flat angles C4'-P-C4' energy: -91.715
flat angles P-C4'-P energy: -55.603
tors. eta vs tors. theta energy: -53.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -803.891212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -803.891212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -803.891212 (E_RNA)
where:
Base-Base interactions energy: -501.487
where: short stacking energy: -245.438
Base-Backbone interact. energy: 2.671
local terms energy: -305.074869
where:
bonds (distance) C4'-P energy: -87.362
bonds (distance) P-C4' energy: -80.360
flat angles C4'-P-C4' energy: -56.492
flat angles P-C4'-P energy: -45.566
tors. eta vs tors. theta energy: -35.295
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: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -1972.441630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.441630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.441630 (E_RNA)
where:
Base-Base interactions energy: -1391.144
where: short stacking energy: -559.564
Base-Backbone interact. energy: -1.204
local terms energy: -580.093875
where:
bonds (distance) C4'-P energy: -90.965
bonds (distance) P-C4' energy: -109.397
flat angles C4'-P-C4' energy: -121.807
flat angles P-C4'-P energy: -91.143
tors. eta vs tors. theta energy: -166.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -1892.027175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.027175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.027175 (E_RNA)
where:
Base-Base interactions energy: -1365.590
where: short stacking energy: -533.108
Base-Backbone interact. energy: -2.699
local terms energy: -523.738536
where:
bonds (distance) C4'-P energy: -89.077
bonds (distance) P-C4' energy: -99.456
flat angles C4'-P-C4' energy: -114.568
flat angles P-C4'-P energy: -74.966
tors. eta vs tors. theta energy: -145.672
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: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -1822.250992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1822.250992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1822.250992 (E_RNA)
where:
Base-Base interactions energy: -1273.944
where: short stacking energy: -514.748
Base-Backbone interact. energy: -2.684
local terms energy: -545.623283
where:
bonds (distance) C4'-P energy: -106.338
bonds (distance) P-C4' energy: -108.809
flat angles C4'-P-C4' energy: -114.140
flat angles P-C4'-P energy: -77.227
tors. eta vs tors. theta energy: -139.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -1780.399288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1780.399288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1780.399288 (E_RNA)
where:
Base-Base interactions energy: -1253.870
where: short stacking energy: -511.700
Base-Backbone interact. energy: -3.514
local terms energy: -523.015635
where:
bonds (distance) C4'-P energy: -111.927
bonds (distance) P-C4' energy: -93.474
flat angles C4'-P-C4' energy: -105.290
flat angles P-C4'-P energy: -69.162
tors. eta vs tors. theta energy: -143.163
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: 7
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -1616.907007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.907007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.907007 (E_RNA)
where:
Base-Base interactions energy: -1119.286
where: short stacking energy: -485.080
Base-Backbone interact. energy: -3.270
local terms energy: -494.351050
where:
bonds (distance) C4'-P energy: -93.042
bonds (distance) P-C4' energy: -92.954
flat angles C4'-P-C4' energy: -107.532
flat angles P-C4'-P energy: -74.958
tors. eta vs tors. theta energy: -125.866
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: 4
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -1594.593294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1594.593294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1594.593294 (E_RNA)
where:
Base-Base interactions energy: -1145.025
where: short stacking energy: -441.015
Base-Backbone interact. energy: -4.091
local terms energy: -445.478098
where:
bonds (distance) C4'-P energy: -86.935
bonds (distance) P-C4' energy: -83.422
flat angles C4'-P-C4' energy: -99.990
flat angles P-C4'-P energy: -66.150
tors. eta vs tors. theta energy: -108.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -1371.874413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1371.874413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1371.874413 (E_RNA)
where:
Base-Base interactions energy: -955.735
where: short stacking energy: -406.620
Base-Backbone interact. energy: -0.324
local terms energy: -415.815984
where:
bonds (distance) C4'-P energy: -78.677
bonds (distance) P-C4' energy: -85.272
flat angles C4'-P-C4' energy: -98.067
flat angles P-C4'-P energy: -58.535
tors. eta vs tors. theta energy: -95.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -1309.777605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1309.777605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1309.777605 (E_RNA)
where:
Base-Base interactions energy: -879.605
where: short stacking energy: -380.147
Base-Backbone interact. energy: -4.383
local terms energy: -425.789743
where:
bonds (distance) C4'-P energy: -83.044
bonds (distance) P-C4' energy: -84.830
flat angles C4'-P-C4' energy: -91.295
flat angles P-C4'-P energy: -71.307
tors. eta vs tors. theta energy: -95.313
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: 5
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -1144.914275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1144.914275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1144.914275 (E_RNA)
where:
Base-Base interactions energy: -745.013
where: short stacking energy: -341.253
Base-Backbone interact. energy: -1.667
local terms energy: -398.234342
where:
bonds (distance) C4'-P energy: -73.803
bonds (distance) P-C4' energy: -104.156
flat angles C4'-P-C4' energy: -84.219
flat angles P-C4'-P energy: -52.886
tors. eta vs tors. theta energy: -83.171
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: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -798.881207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.881207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.881207 (E_RNA)
where:
Base-Base interactions energy: -475.040
where: short stacking energy: -225.489
Base-Backbone interact. energy: 2.619
local terms energy: -326.460783
where:
bonds (distance) C4'-P energy: -85.073
bonds (distance) P-C4' energy: -87.949
flat angles C4'-P-C4' energy: -76.934
flat angles P-C4'-P energy: -50.858
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -1961.503825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1961.503825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1961.503825 (E_RNA)
where:
Base-Base interactions energy: -1392.815
where: short stacking energy: -569.129
Base-Backbone interact. energy: -3.796
local terms energy: -564.891919
where:
bonds (distance) C4'-P energy: -110.864
bonds (distance) P-C4' energy: -103.370
flat angles C4'-P-C4' energy: -111.368
flat angles P-C4'-P energy: -78.785
tors. eta vs tors. theta energy: -160.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -1853.165470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.165470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.165470 (E_RNA)
where:
Base-Base interactions energy: -1307.340
where: short stacking energy: -518.106
Base-Backbone interact. energy: -0.435
local terms energy: -545.390275
where:
bonds (distance) C4'-P energy: -103.213
bonds (distance) P-C4' energy: -108.282
flat angles C4'-P-C4' energy: -114.269
flat angles P-C4'-P energy: -77.676
tors. eta vs tors. theta energy: -141.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -1789.096525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.096525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.096525 (E_RNA)
where:
Base-Base interactions energy: -1250.180
where: short stacking energy: -519.529
Base-Backbone interact. energy: -1.726
local terms energy: -537.190951
where:
bonds (distance) C4'-P energy: -102.934
bonds (distance) P-C4' energy: -108.338
flat angles C4'-P-C4' energy: -111.072
flat angles P-C4'-P energy: -80.537
tors. eta vs tors. theta energy: -134.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -1760.274066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1760.274066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1760.274066 (E_RNA)
where:
Base-Base interactions energy: -1237.667
where: short stacking energy: -512.588
Base-Backbone interact. energy: -3.610
local terms energy: -518.996394
where:
bonds (distance) C4'-P energy: -97.299
bonds (distance) P-C4' energy: -95.072
flat angles C4'-P-C4' energy: -105.746
flat angles P-C4'-P energy: -76.904
tors. eta vs tors. theta energy: -143.975
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: 5, replica: 4
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -1624.406598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.406598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.406598 (E_RNA)
where:
Base-Base interactions energy: -1155.245
where: short stacking energy: -462.584
Base-Backbone interact. energy: -1.825
local terms energy: -467.336859
where:
bonds (distance) C4'-P energy: -84.244
bonds (distance) P-C4' energy: -99.280
flat angles C4'-P-C4' energy: -98.291
flat angles P-C4'-P energy: -65.480
tors. eta vs tors. theta energy: -120.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -1517.286592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1517.286592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1517.286592 (E_RNA)
where:
Base-Base interactions energy: -1056.270
where: short stacking energy: -435.603
Base-Backbone interact. energy: -1.966
local terms energy: -459.050817
where:
bonds (distance) C4'-P energy: -68.986
bonds (distance) P-C4' energy: -88.424
flat angles C4'-P-C4' energy: -111.923
flat angles P-C4'-P energy: -77.743
tors. eta vs tors. theta energy: -111.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -1324.914884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1324.914884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1324.914884 (E_RNA)
where:
Base-Base interactions energy: -898.485
where: short stacking energy: -379.964
Base-Backbone interact. energy: -1.030
local terms energy: -425.399502
where:
bonds (distance) C4'-P energy: -87.525
bonds (distance) P-C4' energy: -84.978
flat angles C4'-P-C4' energy: -100.334
flat angles P-C4'-P energy: -57.458
tors. eta vs tors. theta energy: -95.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -1240.291814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1240.291814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1240.291814 (E_RNA)
where:
Base-Base interactions energy: -852.765
where: short stacking energy: -362.484
Base-Backbone interact. energy: -2.165
local terms energy: -385.361197
where:
bonds (distance) C4'-P energy: -100.812
bonds (distance) P-C4' energy: -73.275
flat angles C4'-P-C4' energy: -74.982
flat angles P-C4'-P energy: -67.841
tors. eta vs tors. theta energy: -68.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -1123.404464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1123.404464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1123.404464 (E_RNA)
where:
Base-Base interactions energy: -752.444
where: short stacking energy: -315.992
Base-Backbone interact. energy: 1.248
local terms energy: -372.208097
where:
bonds (distance) C4'-P energy: -89.074
bonds (distance) P-C4' energy: -86.672
flat angles C4'-P-C4' energy: -92.287
flat angles P-C4'-P energy: -49.832
tors. eta vs tors. theta energy: -54.342
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: 10, replica: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -798.877122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -798.877122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -798.877122 (E_RNA)
where:
Base-Base interactions energy: -466.024
where: short stacking energy: -218.894
Base-Backbone interact. energy: -3.516
local terms energy: -329.337269
where:
bonds (distance) C4'-P energy: -94.667
bonds (distance) P-C4' energy: -99.840
flat angles C4'-P-C4' energy: -67.165
flat angles P-C4'-P energy: -44.943
tors. eta vs tors. theta energy: -22.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -1981.759474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1981.759474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1981.759474 (E_RNA)
where:
Base-Base interactions energy: -1402.297
where: short stacking energy: -562.013
Base-Backbone interact. energy: -1.671
local terms energy: -577.791020
where:
bonds (distance) C4'-P energy: -99.000
bonds (distance) P-C4' energy: -109.063
flat angles C4'-P-C4' energy: -121.475
flat angles P-C4'-P energy: -85.172
tors. eta vs tors. theta energy: -163.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -1843.905021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.905021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.905021 (E_RNA)
where:
Base-Base interactions energy: -1324.294
where: short stacking energy: -512.107
Base-Backbone interact. energy: -3.414
local terms energy: -516.197253
where:
bonds (distance) C4'-P energy: -90.746
bonds (distance) P-C4' energy: -98.675
flat angles C4'-P-C4' energy: -108.543
flat angles P-C4'-P energy: -81.222
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: 3, replica: 3
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -1755.980802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.980802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.980802 (E_RNA)
where:
Base-Base interactions energy: -1227.684
where: short stacking energy: -514.119
Base-Backbone interact. energy: -4.588
local terms energy: -523.708358
where:
bonds (distance) C4'-P energy: -88.824
bonds (distance) P-C4' energy: -102.563
flat angles C4'-P-C4' energy: -114.060
flat angles P-C4'-P energy: -78.030
tors. eta vs tors. theta energy: -140.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -1726.223595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.223595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.223595 (E_RNA)
where:
Base-Base interactions energy: -1209.283
where: short stacking energy: -488.070
Base-Backbone interact. energy: 0.222
local terms energy: -517.162846
where:
bonds (distance) C4'-P energy: -90.459
bonds (distance) P-C4' energy: -86.361
flat angles C4'-P-C4' energy: -119.648
flat angles P-C4'-P energy: -81.292
tors. eta vs tors. theta energy: -139.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -1695.656953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1695.656953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1695.656953 (E_RNA)
where:
Base-Base interactions energy: -1220.071
where: short stacking energy: -497.201
Base-Backbone interact. energy: 2.550
local terms energy: -478.136458
where:
bonds (distance) C4'-P energy: -81.070
bonds (distance) P-C4' energy: -94.987
flat angles C4'-P-C4' energy: -100.390
flat angles P-C4'-P energy: -72.729
tors. eta vs tors. theta energy: -128.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -1483.003326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1483.003326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1483.003326 (E_RNA)
where:
Base-Base interactions energy: -1005.323
where: short stacking energy: -441.734
Base-Backbone interact. energy: -2.485
local terms energy: -475.195395
where:
bonds (distance) C4'-P energy: -92.829
bonds (distance) P-C4' energy: -93.238
flat angles C4'-P-C4' energy: -104.779
flat angles P-C4'-P energy: -74.313
tors. eta vs tors. theta energy: -110.038
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: 9
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -1308.956276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1308.956276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1308.956276 (E_RNA)
where:
Base-Base interactions energy: -897.440
where: short stacking energy: -392.251
Base-Backbone interact. energy: -2.255
local terms energy: -409.261453
where:
bonds (distance) C4'-P energy: -85.308
bonds (distance) P-C4' energy: -87.547
flat angles C4'-P-C4' energy: -100.711
flat angles P-C4'-P energy: -58.036
tors. eta vs tors. theta energy: -77.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -1261.344447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.344447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.344447 (E_RNA)
where:
Base-Base interactions energy: -853.279
where: short stacking energy: -388.788
Base-Backbone interact. energy: 8.138
local terms energy: -416.203674
where:
bonds (distance) C4'-P energy: -61.758
bonds (distance) P-C4' energy: -86.975
flat angles C4'-P-C4' energy: -99.576
flat angles P-C4'-P energy: -72.150
tors. eta vs tors. theta energy: -95.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -1090.908556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.908556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.908556 (E_RNA)
where:
Base-Base interactions energy: -742.519
where: short stacking energy: -312.087
Base-Backbone interact. energy: -0.028
local terms energy: -348.361578
where:
bonds (distance) C4'-P energy: -81.826
bonds (distance) P-C4' energy: -89.551
flat angles C4'-P-C4' energy: -90.236
flat angles P-C4'-P energy: -33.924
tors. eta vs tors. theta energy: -52.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -787.266410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -787.266410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -787.266410 (E_RNA)
where:
Base-Base interactions energy: -486.006
where: short stacking energy: -233.571
Base-Backbone interact. energy: -1.250
local terms energy: -300.010077
where:
bonds (distance) C4'-P energy: -63.126
bonds (distance) P-C4' energy: -79.779
flat angles C4'-P-C4' energy: -78.461
flat angles P-C4'-P energy: -56.415
tors. eta vs tors. theta energy: -22.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -1965.906230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.906230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.906230 (E_RNA)
where:
Base-Base interactions energy: -1395.283
where: short stacking energy: -574.134
Base-Backbone interact. energy: -0.723
local terms energy: -569.900758
where:
bonds (distance) C4'-P energy: -91.875
bonds (distance) P-C4' energy: -104.666
flat angles C4'-P-C4' energy: -125.440
flat angles P-C4'-P energy: -86.691
tors. eta vs tors. theta energy: -161.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -1846.529011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.529011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.529011 (E_RNA)
where:
Base-Base interactions energy: -1335.176
where: short stacking energy: -518.584
Base-Backbone interact. energy: -0.926
local terms energy: -510.427054
where:
bonds (distance) C4'-P energy: -102.299
bonds (distance) P-C4' energy: -90.364
flat angles C4'-P-C4' energy: -107.178
flat angles P-C4'-P energy: -81.031
tors. eta vs tors. theta energy: -129.555
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: 3
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -1769.033262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1769.033262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1769.033262 (E_RNA)
where:
Base-Base interactions energy: -1251.800
where: short stacking energy: -523.002
Base-Backbone interact. energy: -1.887
local terms energy: -515.346290
where:
bonds (distance) C4'-P energy: -84.499
bonds (distance) P-C4' energy: -105.334
flat angles C4'-P-C4' energy: -109.729
flat angles P-C4'-P energy: -72.735
tors. eta vs tors. theta energy: -143.049
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: 8
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -1734.988585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.988585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.988585 (E_RNA)
where:
Base-Base interactions energy: -1221.263
where: short stacking energy: -503.892
Base-Backbone interact. energy: -3.150
local terms energy: -510.575417
where:
bonds (distance) C4'-P energy: -92.852
bonds (distance) P-C4' energy: -103.249
flat angles C4'-P-C4' energy: -107.371
flat angles P-C4'-P energy: -74.428
tors. eta vs tors. theta energy: -132.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -1655.032209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1655.032209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1655.032209 (E_RNA)
where:
Base-Base interactions energy: -1146.442
where: short stacking energy: -486.921
Base-Backbone interact. energy: 0.857
local terms energy: -509.447232
where:
bonds (distance) C4'-P energy: -103.258
bonds (distance) P-C4' energy: -105.238
flat angles C4'-P-C4' energy: -109.872
flat angles P-C4'-P energy: -72.993
tors. eta vs tors. theta energy: -118.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -1571.902089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.902089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.902089 (E_RNA)
where:
Base-Base interactions energy: -1073.217
where: short stacking energy: -452.374
Base-Backbone interact. energy: -0.992
local terms energy: -497.693142
where:
bonds (distance) C4'-P energy: -87.197
bonds (distance) P-C4' energy: -97.503
flat angles C4'-P-C4' energy: -92.975
flat angles P-C4'-P energy: -91.037
tors. eta vs tors. theta energy: -128.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -1418.324529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1418.324529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1418.324529 (E_RNA)
where:
Base-Base interactions energy: -972.837
where: short stacking energy: -404.554
Base-Backbone interact. energy: 0.802
local terms energy: -446.289898
where:
bonds (distance) C4'-P energy: -89.017
bonds (distance) P-C4' energy: -102.769
flat angles C4'-P-C4' energy: -103.957
flat angles P-C4'-P energy: -54.059
tors. eta vs tors. theta energy: -96.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -1292.137814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1292.137814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1292.137814 (E_RNA)
where:
Base-Base interactions energy: -864.761
where: short stacking energy: -367.614
Base-Backbone interact. energy: 0.894
local terms energy: -428.271201
where:
bonds (distance) C4'-P energy: -87.481
bonds (distance) P-C4' energy: -90.755
flat angles C4'-P-C4' energy: -94.840
flat angles P-C4'-P energy: -55.768
tors. eta vs tors. theta energy: -99.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -1025.612672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1025.612672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1025.612672 (E_RNA)
where:
Base-Base interactions energy: -671.021
where: short stacking energy: -283.287
Base-Backbone interact. energy: 5.445
local terms energy: -360.037084
where:
bonds (distance) C4'-P energy: -91.062
bonds (distance) P-C4' energy: -69.738
flat angles C4'-P-C4' energy: -90.834
flat angles P-C4'-P energy: -58.674
tors. eta vs tors. theta energy: -49.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -810.371112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -810.371112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -810.371112 (E_RNA)
where:
Base-Base interactions energy: -486.185
where: short stacking energy: -238.948
Base-Backbone interact. energy: 0.324
local terms energy: -324.510206
where:
bonds (distance) C4'-P energy: -74.348
bonds (distance) P-C4' energy: -87.943
flat angles C4'-P-C4' energy: -89.382
flat angles P-C4'-P energy: -37.972
tors. eta vs tors. theta energy: -34.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -1964.830106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.830106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.830106 (E_RNA)
where:
Base-Base interactions energy: -1415.885
where: short stacking energy: -569.069
Base-Backbone interact. energy: -0.274
local terms energy: -548.671715
where:
bonds (distance) C4'-P energy: -101.242
bonds (distance) P-C4' energy: -101.778
flat angles C4'-P-C4' energy: -114.835
flat angles P-C4'-P energy: -74.893
tors. eta vs tors. theta energy: -155.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -1843.361843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.361843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.361843 (E_RNA)
where:
Base-Base interactions energy: -1318.131
where: short stacking energy: -519.258
Base-Backbone interact. energy: -2.670
local terms energy: -522.561083
where:
bonds (distance) C4'-P energy: -89.103
bonds (distance) P-C4' energy: -101.228
flat angles C4'-P-C4' energy: -117.233
flat angles P-C4'-P energy: -71.598
tors. eta vs tors. theta energy: -143.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -1773.775906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1773.775906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1773.775906 (E_RNA)
where:
Base-Base interactions energy: -1238.980
where: short stacking energy: -535.804
Base-Backbone interact. energy: -1.093
local terms energy: -533.702327
where:
bonds (distance) C4'-P energy: -81.682
bonds (distance) P-C4' energy: -109.557
flat angles C4'-P-C4' energy: -117.866
flat angles P-C4'-P energy: -77.802
tors. eta vs tors. theta energy: -146.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -1731.709565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.709565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.709565 (E_RNA)
where:
Base-Base interactions energy: -1258.876
where: short stacking energy: -517.343
Base-Backbone interact. energy: 2.251
local terms energy: -475.084268
where:
bonds (distance) C4'-P energy: -85.201
bonds (distance) P-C4' energy: -84.836
flat angles C4'-P-C4' energy: -98.510
flat angles P-C4'-P energy: -71.768
tors. eta vs tors. theta energy: -134.769
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: 8
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -1717.711246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1717.711246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1717.711246 (E_RNA)
where:
Base-Base interactions energy: -1215.284
where: short stacking energy: -489.444
Base-Backbone interact. energy: -1.107
local terms energy: -501.320243
where:
bonds (distance) C4'-P energy: -79.066
bonds (distance) P-C4' energy: -101.952
flat angles C4'-P-C4' energy: -116.726
flat angles P-C4'-P energy: -61.863
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: 6, replica: 7
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -1545.096908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1545.096908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1545.096908 (E_RNA)
where:
Base-Base interactions energy: -1065.318
where: short stacking energy: -453.355
Base-Backbone interact. energy: -1.109
local terms energy: -478.669354
where:
bonds (distance) C4'-P energy: -70.438
bonds (distance) P-C4' energy: -98.100
flat angles C4'-P-C4' energy: -101.361
flat angles P-C4'-P energy: -76.401
tors. eta vs tors. theta energy: -132.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -1372.034895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1372.034895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1372.034895 (E_RNA)
where:
Base-Base interactions energy: -947.401
where: short stacking energy: -386.363
Base-Backbone interact. energy: -0.274
local terms energy: -424.359246
where:
bonds (distance) C4'-P energy: -78.835
bonds (distance) P-C4' energy: -84.949
flat angles C4'-P-C4' energy: -102.000
flat angles P-C4'-P energy: -65.243
tors. eta vs tors. theta energy: -93.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -1318.035636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.035636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.035636 (E_RNA)
where:
Base-Base interactions energy: -891.485
where: short stacking energy: -397.762
Base-Backbone interact. energy: -1.154
local terms energy: -425.396813
where:
bonds (distance) C4'-P energy: -79.771
bonds (distance) P-C4' energy: -76.192
flat angles C4'-P-C4' energy: -100.919
flat angles P-C4'-P energy: -58.081
tors. eta vs tors. theta energy: -110.435
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: 5
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -1068.094375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1068.094375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1068.094375 (E_RNA)
where:
Base-Base interactions energy: -726.865
where: short stacking energy: -339.693
Base-Backbone interact. energy: -3.368
local terms energy: -337.861582
where:
bonds (distance) C4'-P energy: -75.309
bonds (distance) P-C4' energy: -66.002
flat angles C4'-P-C4' energy: -89.579
flat angles P-C4'-P energy: -41.545
tors. eta vs tors. theta energy: -65.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -760.964782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -760.964782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -760.964782 (E_RNA)
where:
Base-Base interactions energy: -478.201
where: short stacking energy: -221.875
Base-Backbone interact. energy: 1.144
local terms energy: -283.907718
where:
bonds (distance) C4'-P energy: -72.597
bonds (distance) P-C4' energy: -87.976
flat angles C4'-P-C4' energy: -54.460
flat angles P-C4'-P energy: -49.286
tors. eta vs tors. theta energy: -19.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -1973.382536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.382536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.382536 (E_RNA)
where:
Base-Base interactions energy: -1427.777
where: short stacking energy: -572.540
Base-Backbone interact. energy: -3.681
local terms energy: -541.924352
where:
bonds (distance) C4'-P energy: -89.035
bonds (distance) P-C4' energy: -100.630
flat angles C4'-P-C4' energy: -125.414
flat angles P-C4'-P energy: -73.998
tors. eta vs tors. theta energy: -152.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -1880.698861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.698861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.698861 (E_RNA)
where:
Base-Base interactions energy: -1333.711
where: short stacking energy: -520.639
Base-Backbone interact. energy: -1.937
local terms energy: -545.051272
where:
bonds (distance) C4'-P energy: -93.467
bonds (distance) P-C4' energy: -109.157
flat angles C4'-P-C4' energy: -123.685
flat angles P-C4'-P energy: -77.290
tors. eta vs tors. theta energy: -141.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -1753.381037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1753.381037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1753.381037 (E_RNA)
where:
Base-Base interactions energy: -1236.894
where: short stacking energy: -502.455
Base-Backbone interact. energy: -0.093
local terms energy: -516.393740
where:
bonds (distance) C4'-P energy: -97.175
bonds (distance) P-C4' energy: -104.033
flat angles C4'-P-C4' energy: -105.100
flat angles P-C4'-P energy: -77.748
tors. eta vs tors. theta energy: -132.338
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: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -1726.833090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1726.833090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1726.833090 (E_RNA)
where:
Base-Base interactions energy: -1243.407
where: short stacking energy: -503.518
Base-Backbone interact. energy: -0.456
local terms energy: -482.969871
where:
bonds (distance) C4'-P energy: -84.395
bonds (distance) P-C4' energy: -90.558
flat angles C4'-P-C4' energy: -105.276
flat angles P-C4'-P energy: -73.840
tors. eta vs tors. theta energy: -128.900
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: 5, replica: 8
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -1663.899936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.899936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.899936 (E_RNA)
where:
Base-Base interactions energy: -1200.523
where: short stacking energy: -480.636
Base-Backbone interact. energy: -4.396
local terms energy: -458.980991
where:
bonds (distance) C4'-P energy: -80.065
bonds (distance) P-C4' energy: -81.836
flat angles C4'-P-C4' energy: -106.583
flat angles P-C4'-P energy: -66.153
tors. eta vs tors. theta energy: -124.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -1497.902667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1497.902667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1497.902667 (E_RNA)
where:
Base-Base interactions energy: -1059.062
where: short stacking energy: -456.594
Base-Backbone interact. energy: -2.247
local terms energy: -436.593293
where:
bonds (distance) C4'-P energy: -84.784
bonds (distance) P-C4' energy: -96.612
flat angles C4'-P-C4' energy: -97.176
flat angles P-C4'-P energy: -57.620
tors. eta vs tors. theta energy: -100.402
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: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -1405.636576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1405.636576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1405.636576 (E_RNA)
where:
Base-Base interactions energy: -969.157
where: short stacking energy: -399.379
Base-Backbone interact. energy: -1.156
local terms energy: -435.324139
where:
bonds (distance) C4'-P energy: -79.118
bonds (distance) P-C4' energy: -100.561
flat angles C4'-P-C4' energy: -96.990
flat angles P-C4'-P energy: -63.122
tors. eta vs tors. theta energy: -95.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -1357.371794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1357.371794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1357.371794 (E_RNA)
where:
Base-Base interactions energy: -905.799
where: short stacking energy: -369.159
Base-Backbone interact. energy: -2.291
local terms energy: -449.281347
where:
bonds (distance) C4'-P energy: -84.875
bonds (distance) P-C4' energy: -98.415
flat angles C4'-P-C4' energy: -89.943
flat angles P-C4'-P energy: -70.127
tors. eta vs tors. theta energy: -105.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -1039.598372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.598372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.598372 (E_RNA)
where:
Base-Base interactions energy: -679.588
where: short stacking energy: -307.525
Base-Backbone interact. energy: -3.216
local terms energy: -356.794466
where:
bonds (distance) C4'-P energy: -86.133
bonds (distance) P-C4' energy: -87.178
flat angles C4'-P-C4' energy: -74.464
flat angles P-C4'-P energy: -58.660
tors. eta vs tors. theta energy: -50.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -805.701849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -805.701849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -805.701849 (E_RNA)
where:
Base-Base interactions energy: -502.225
where: short stacking energy: -251.825
Base-Backbone interact. energy: 2.669
local terms energy: -306.145520
where:
bonds (distance) C4'-P energy: -66.337
bonds (distance) P-C4' energy: -86.810
flat angles C4'-P-C4' energy: -73.964
flat angles P-C4'-P energy: -46.577
tors. eta vs tors. theta energy: -32.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -1969.447502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.447502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.447502 (E_RNA)
where:
Base-Base interactions energy: -1414.802
where: short stacking energy: -574.841
Base-Backbone interact. energy: 1.312
local terms energy: -555.957422
where:
bonds (distance) C4'-P energy: -96.695
bonds (distance) P-C4' energy: -102.996
flat angles C4'-P-C4' energy: -114.534
flat angles P-C4'-P energy: -80.165
tors. eta vs tors. theta energy: -161.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -1870.744754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1870.744754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1870.744754 (E_RNA)
where:
Base-Base interactions energy: -1334.293
where: short stacking energy: -545.151
Base-Backbone interact. energy: -2.279
local terms energy: -534.172282
where:
bonds (distance) C4'-P energy: -103.528
bonds (distance) P-C4' energy: -89.857
flat angles C4'-P-C4' energy: -116.675
flat angles P-C4'-P energy: -77.808
tors. eta vs tors. theta energy: -146.305
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: 3, replica: 3
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -1776.275728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1776.275728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1776.275728 (E_RNA)
where:
Base-Base interactions energy: -1240.693
where: short stacking energy: -513.754
Base-Backbone interact. energy: -3.404
local terms energy: -532.179592
where:
bonds (distance) C4'-P energy: -98.677
bonds (distance) P-C4' energy: -102.282
flat angles C4'-P-C4' energy: -118.302
flat angles P-C4'-P energy: -76.958
tors. eta vs tors. theta energy: -135.961
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: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -1711.115527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.115527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.115527 (E_RNA)
where:
Base-Base interactions energy: -1202.622
where: short stacking energy: -485.845
Base-Backbone interact. energy: 2.046
local terms energy: -510.539573
where:
bonds (distance) C4'-P energy: -95.504
bonds (distance) P-C4' energy: -93.826
flat angles C4'-P-C4' energy: -107.139
flat angles P-C4'-P energy: -74.530
tors. eta vs tors. theta energy: -139.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -1623.216807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.216807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.216807 (E_RNA)
where:
Base-Base interactions energy: -1134.374
where: short stacking energy: -447.217
Base-Backbone interact. energy: 3.812
local terms energy: -492.654605
where:
bonds (distance) C4'-P energy: -101.729
bonds (distance) P-C4' energy: -96.471
flat angles C4'-P-C4' energy: -105.441
flat angles P-C4'-P energy: -72.767
tors. eta vs tors. theta energy: -116.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -1453.334174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.334174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.334174 (E_RNA)
where:
Base-Base interactions energy: -1017.640
where: short stacking energy: -415.948
Base-Backbone interact. energy: 7.809
local terms energy: -443.502584
where:
bonds (distance) C4'-P energy: -84.619
bonds (distance) P-C4' energy: -85.883
flat angles C4'-P-C4' energy: -113.042
flat angles P-C4'-P energy: -50.726
tors. eta vs tors. theta energy: -109.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -1464.449660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.449660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.449660 (E_RNA)
where:
Base-Base interactions energy: -1017.135
where: short stacking energy: -431.239
Base-Backbone interact. energy: -0.932
local terms energy: -446.381979
where:
bonds (distance) C4'-P energy: -77.343
bonds (distance) P-C4' energy: -98.982
flat angles C4'-P-C4' energy: -100.322
flat angles P-C4'-P energy: -65.396
tors. eta vs tors. theta energy: -104.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -1320.162743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1320.162743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1320.162743 (E_RNA)
where:
Base-Base interactions energy: -887.325
where: short stacking energy: -381.058
Base-Backbone interact. energy: 2.214
local terms energy: -435.051754
where:
bonds (distance) C4'-P energy: -76.460
bonds (distance) P-C4' energy: -91.647
flat angles C4'-P-C4' energy: -104.841
flat angles P-C4'-P energy: -62.261
tors. eta vs tors. theta energy: -99.843
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: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -1074.390050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.390050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.390050 (E_RNA)
where:
Base-Base interactions energy: -712.122
where: short stacking energy: -289.886
Base-Backbone interact. energy: -2.147
local terms energy: -360.121718
where:
bonds (distance) C4'-P energy: -77.742
bonds (distance) P-C4' energy: -82.732
flat angles C4'-P-C4' energy: -93.228
flat angles P-C4'-P energy: -43.539
tors. eta vs tors. theta energy: -62.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -819.951051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -819.951051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -819.951051 (E_RNA)
where:
Base-Base interactions energy: -502.846
where: short stacking energy: -231.155
Base-Backbone interact. energy: -0.124
local terms energy: -316.981043
where:
bonds (distance) C4'-P energy: -63.071
bonds (distance) P-C4' energy: -94.011
flat angles C4'-P-C4' energy: -80.864
flat angles P-C4'-P energy: -65.187
tors. eta vs tors. theta energy: -13.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -1943.785010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.785010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.785010 (E_RNA)
where:
Base-Base interactions energy: -1381.175
where: short stacking energy: -580.162
Base-Backbone interact. energy: -0.256
local terms energy: -562.353146
where:
bonds (distance) C4'-P energy: -109.243
bonds (distance) P-C4' energy: -106.374
flat angles C4'-P-C4' energy: -108.094
flat angles P-C4'-P energy: -75.462
tors. eta vs tors. theta energy: -163.180
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: 1
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -1848.665861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1848.665861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1848.665861 (E_RNA)
where:
Base-Base interactions energy: -1320.679
where: short stacking energy: -534.078
Base-Backbone interact. energy: 0.998
local terms energy: -528.984195
where:
bonds (distance) C4'-P energy: -92.119
bonds (distance) P-C4' energy: -103.693
flat angles C4'-P-C4' energy: -113.728
flat angles P-C4'-P energy: -78.236
tors. eta vs tors. theta energy: -141.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -1750.424888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.424888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.424888 (E_RNA)
where:
Base-Base interactions energy: -1210.744
where: short stacking energy: -506.116
Base-Backbone interact. energy: -1.886
local terms energy: -537.795034
where:
bonds (distance) C4'-P energy: -104.091
bonds (distance) P-C4' energy: -105.663
flat angles C4'-P-C4' energy: -106.899
flat angles P-C4'-P energy: -78.697
tors. eta vs tors. theta energy: -142.445
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: 456
Temperature: 1.050000
Total energy: -1725.172607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1725.172607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1725.172607 (E_RNA)
where:
Base-Base interactions energy: -1229.830
where: short stacking energy: -509.506
Base-Backbone interact. energy: -2.086
local terms energy: -493.256470
where:
bonds (distance) C4'-P energy: -89.678
bonds (distance) P-C4' energy: -86.330
flat angles C4'-P-C4' energy: -114.772
flat angles P-C4'-P energy: -62.376
tors. eta vs tors. theta energy: -140.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -1643.777308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1643.777308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1643.777308 (E_RNA)
where:
Base-Base interactions energy: -1162.526
where: short stacking energy: -467.119
Base-Backbone interact. energy: -1.293
local terms energy: -479.958143
where:
bonds (distance) C4'-P energy: -94.159
bonds (distance) P-C4' energy: -88.214
flat angles C4'-P-C4' energy: -97.240
flat angles P-C4'-P energy: -72.829
tors. eta vs tors. theta energy: -127.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -1426.455667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.455667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.455667 (E_RNA)
where:
Base-Base interactions energy: -986.572
where: short stacking energy: -421.270
Base-Backbone interact. energy: 2.904
local terms energy: -442.787618
where:
bonds (distance) C4'-P energy: -83.789
bonds (distance) P-C4' energy: -88.524
flat angles C4'-P-C4' energy: -106.939
flat angles P-C4'-P energy: -78.695
tors. eta vs tors. theta energy: -84.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -1502.934216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.934216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.934216 (E_RNA)
where:
Base-Base interactions energy: -1069.922
where: short stacking energy: -447.324
Base-Backbone interact. energy: -0.556
local terms energy: -432.456882
where:
bonds (distance) C4'-P energy: -88.919
bonds (distance) P-C4' energy: -73.369
flat angles C4'-P-C4' energy: -98.982
flat angles P-C4'-P energy: -56.453
tors. eta vs tors. theta energy: -114.734
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: 6
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -1316.700615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1316.700615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1316.700615 (E_RNA)
where:
Base-Base interactions energy: -905.237
where: short stacking energy: -379.890
Base-Backbone interact. energy: 1.190
local terms energy: -412.654213
where:
bonds (distance) C4'-P energy: -79.748
bonds (distance) P-C4' energy: -82.565
flat angles C4'-P-C4' energy: -93.823
flat angles P-C4'-P energy: -59.072
tors. eta vs tors. theta energy: -97.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -1072.053631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1072.053631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1072.053631 (E_RNA)
where:
Base-Base interactions energy: -701.717
where: short stacking energy: -287.484
Base-Backbone interact. energy: -0.340
local terms energy: -369.996501
where:
bonds (distance) C4'-P energy: -96.942
bonds (distance) P-C4' energy: -73.775
flat angles C4'-P-C4' energy: -94.140
flat angles P-C4'-P energy: -47.398
tors. eta vs tors. theta energy: -57.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -843.698338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.698338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.698338 (E_RNA)
where:
Base-Base interactions energy: -497.528
where: short stacking energy: -228.513
Base-Backbone interact. energy: -2.672
local terms energy: -343.498931
where:
bonds (distance) C4'-P energy: -81.625
bonds (distance) P-C4' energy: -96.477
flat angles C4'-P-C4' energy: -73.047
flat angles P-C4'-P energy: -56.753
tors. eta vs tors. theta energy: -35.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -1963.942473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.942473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.942473 (E_RNA)
where:
Base-Base interactions energy: -1408.686
where: short stacking energy: -556.751
Base-Backbone interact. energy: -2.619
local terms energy: -552.637047
where:
bonds (distance) C4'-P energy: -96.390
bonds (distance) P-C4' energy: -101.552
flat angles C4'-P-C4' energy: -122.477
flat angles P-C4'-P energy: -71.726
tors. eta vs tors. theta energy: -160.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -1855.985215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1855.985215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1855.985215 (E_RNA)
where:
Base-Base interactions energy: -1333.581
where: short stacking energy: -525.491
Base-Backbone interact. energy: -2.613
local terms energy: -519.791473
where:
bonds (distance) C4'-P energy: -90.843
bonds (distance) P-C4' energy: -102.221
flat angles C4'-P-C4' energy: -101.274
flat angles P-C4'-P energy: -72.557
tors. eta vs tors. theta energy: -152.896
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: 3
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -1750.493493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.493493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.493493 (E_RNA)
where:
Base-Base interactions energy: -1213.489
where: short stacking energy: -500.193
Base-Backbone interact. energy: -3.231
local terms energy: -533.773446
where:
bonds (distance) C4'-P energy: -87.968
bonds (distance) P-C4' energy: -101.175
flat angles C4'-P-C4' energy: -106.367
flat angles P-C4'-P energy: -84.957
tors. eta vs tors. theta energy: -153.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -1734.332298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.332298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.332298 (E_RNA)
where:
Base-Base interactions energy: -1251.709
where: short stacking energy: -526.347
Base-Backbone interact. energy: -2.212
local terms energy: -480.411341
where:
bonds (distance) C4'-P energy: -95.069
bonds (distance) P-C4' energy: -81.955
flat angles C4'-P-C4' energy: -102.433
flat angles P-C4'-P energy: -67.538
tors. eta vs tors. theta energy: -133.416
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: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -1669.096281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1669.096281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1669.096281 (E_RNA)
where:
Base-Base interactions energy: -1179.238
where: short stacking energy: -456.519
Base-Backbone interact. energy: -1.296
local terms energy: -488.561955
where:
bonds (distance) C4'-P energy: -90.112
bonds (distance) P-C4' energy: -99.374
flat angles C4'-P-C4' energy: -110.869
flat angles P-C4'-P energy: -70.242
tors. eta vs tors. theta energy: -117.966
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: 6, replica: 7
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -1511.014718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.014718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.014718 (E_RNA)
where:
Base-Base interactions energy: -1059.341
where: short stacking energy: -449.209
Base-Backbone interact. energy: -0.700
local terms energy: -450.973482
where:
bonds (distance) C4'-P energy: -82.104
bonds (distance) P-C4' energy: -87.059
flat angles C4'-P-C4' energy: -94.162
flat angles P-C4'-P energy: -67.660
tors. eta vs tors. theta energy: -119.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -1439.954800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.954800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.954800 (E_RNA)
where:
Base-Base interactions energy: -998.687
where: short stacking energy: -424.783
Base-Backbone interact. energy: 3.108
local terms energy: -444.375938
where:
bonds (distance) C4'-P energy: -89.830
bonds (distance) P-C4' energy: -77.918
flat angles C4'-P-C4' energy: -101.621
flat angles P-C4'-P energy: -60.841
tors. eta vs tors. theta energy: -114.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -1318.497874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1318.497874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1318.497874 (E_RNA)
where:
Base-Base interactions energy: -914.284
where: short stacking energy: -394.160
Base-Backbone interact. energy: -1.375
local terms energy: -402.838793
where:
bonds (distance) C4'-P energy: -82.043
bonds (distance) P-C4' energy: -83.729
flat angles C4'-P-C4' energy: -96.535
flat angles P-C4'-P energy: -46.379
tors. eta vs tors. theta energy: -94.152
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: 5
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -1051.609959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1051.609959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1051.609959 (E_RNA)
where:
Base-Base interactions energy: -690.140
where: short stacking energy: -308.569
Base-Backbone interact. energy: 7.422
local terms energy: -368.891827
where:
bonds (distance) C4'-P energy: -76.459
bonds (distance) P-C4' energy: -87.660
flat angles C4'-P-C4' energy: -81.553
flat angles P-C4'-P energy: -51.643
tors. eta vs tors. theta energy: -71.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -807.006052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -807.006052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -807.006052 (E_RNA)
where:
Base-Base interactions energy: -492.230
where: short stacking energy: -236.279
Base-Backbone interact. energy: -1.462
local terms energy: -313.313627
where:
bonds (distance) C4'-P energy: -79.101
bonds (distance) P-C4' energy: -87.851
flat angles C4'-P-C4' energy: -88.444
flat angles P-C4'-P energy: -34.739
tors. eta vs tors. theta energy: -23.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -1964.266462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1964.266462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1964.266462 (E_RNA)
where:
Base-Base interactions energy: -1400.553
where: short stacking energy: -560.818
Base-Backbone interact. energy: 0.409
local terms energy: -564.123058
where:
bonds (distance) C4'-P energy: -105.821
bonds (distance) P-C4' energy: -106.923
flat angles C4'-P-C4' energy: -118.336
flat angles P-C4'-P energy: -79.222
tors. eta vs tors. theta energy: -153.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -1867.754958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1867.754958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1867.754958 (E_RNA)
where:
Base-Base interactions energy: -1353.991
where: short stacking energy: -533.643
Base-Backbone interact. energy: 0.335
local terms energy: -514.099524
where:
bonds (distance) C4'-P energy: -96.785
bonds (distance) P-C4' energy: -97.582
flat angles C4'-P-C4' energy: -111.553
flat angles P-C4'-P energy: -72.105
tors. eta vs tors. theta energy: -136.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -1783.384563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.384563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.384563 (E_RNA)
where:
Base-Base interactions energy: -1242.313
where: short stacking energy: -515.125
Base-Backbone interact. energy: -0.010
local terms energy: -541.061433
where:
bonds (distance) C4'-P energy: -101.158
bonds (distance) P-C4' energy: -110.161
flat angles C4'-P-C4' energy: -110.821
flat angles P-C4'-P energy: -74.536
tors. eta vs tors. theta energy: -144.386
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: 3
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -1683.751342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1683.751342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1683.751342 (E_RNA)
where:
Base-Base interactions energy: -1191.530
where: short stacking energy: -468.255
Base-Backbone interact. energy: -2.348
local terms energy: -489.873034
where:
bonds (distance) C4'-P energy: -102.565
bonds (distance) P-C4' energy: -94.328
flat angles C4'-P-C4' energy: -109.937
flat angles P-C4'-P energy: -58.461
tors. eta vs tors. theta energy: -124.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -1664.176802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1664.176802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1664.176802 (E_RNA)
where:
Base-Base interactions energy: -1181.327
where: short stacking energy: -474.111
Base-Backbone interact. energy: 1.356
local terms energy: -484.205336
where:
bonds (distance) C4'-P energy: -71.514
bonds (distance) P-C4' energy: -87.626
flat angles C4'-P-C4' energy: -113.433
flat angles P-C4'-P energy: -81.352
tors. eta vs tors. theta energy: -130.280
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: 6, replica: 7
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -1494.672179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1494.672179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1494.672179 (E_RNA)
where:
Base-Base interactions energy: -1052.602
where: short stacking energy: -449.683
Base-Backbone interact. energy: 0.359
local terms energy: -442.428273
where:
bonds (distance) C4'-P energy: -79.768
bonds (distance) P-C4' energy: -89.222
flat angles C4'-P-C4' energy: -89.806
flat angles P-C4'-P energy: -61.458
tors. eta vs tors. theta energy: -122.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -1444.612031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.612031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.612031 (E_RNA)
where:
Base-Base interactions energy: -994.169
where: short stacking energy: -411.944
Base-Backbone interact. energy: -2.314
local terms energy: -448.128801
where:
bonds (distance) C4'-P energy: -83.505
bonds (distance) P-C4' energy: -103.260
flat angles C4'-P-C4' energy: -88.954
flat angles P-C4'-P energy: -63.935
tors. eta vs tors. theta energy: -108.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -1287.776699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1287.776699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1287.776699 (E_RNA)
where:
Base-Base interactions energy: -875.051
where: short stacking energy: -362.107
Base-Backbone interact. energy: -1.962
local terms energy: -410.763693
where:
bonds (distance) C4'-P energy: -80.329
bonds (distance) P-C4' energy: -94.189
flat angles C4'-P-C4' energy: -85.931
flat angles P-C4'-P energy: -61.772
tors. eta vs tors. theta energy: -88.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -1141.327456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1141.327456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1141.327456 (E_RNA)
where:
Base-Base interactions energy: -780.022
where: short stacking energy: -341.806
Base-Backbone interact. energy: -2.868
local terms energy: -358.437682
where:
bonds (distance) C4'-P energy: -73.254
bonds (distance) P-C4' energy: -95.211
flat angles C4'-P-C4' energy: -65.705
flat angles P-C4'-P energy: -53.772
tors. eta vs tors. theta energy: -70.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -843.676950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.676950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.676950 (E_RNA)
where:
Base-Base interactions energy: -524.998
where: short stacking energy: -267.896
Base-Backbone interact. energy: -1.498
local terms energy: -317.180506
where:
bonds (distance) C4'-P energy: -87.274
bonds (distance) P-C4' energy: -75.117
flat angles C4'-P-C4' energy: -74.373
flat angles P-C4'-P energy: -40.059
tors. eta vs tors. theta energy: -40.358
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: 459
Temperature: 0.900000
Total energy: -1958.494137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1958.494137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1958.494137 (E_RNA)
where:
Base-Base interactions energy: -1414.500
where: short stacking energy: -561.292
Base-Backbone interact. energy: -0.388
local terms energy: -543.606210
where:
bonds (distance) C4'-P energy: -98.338
bonds (distance) P-C4' energy: -93.530
flat angles C4'-P-C4' energy: -121.856
flat angles P-C4'-P energy: -77.012
tors. eta vs tors. theta energy: -152.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -1881.024192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1881.024192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1881.024192 (E_RNA)
where:
Base-Base interactions energy: -1341.198
where: short stacking energy: -529.572
Base-Backbone interact. energy: -2.614
local terms energy: -537.211721
where:
bonds (distance) C4'-P energy: -101.310
bonds (distance) P-C4' energy: -102.036
flat angles C4'-P-C4' energy: -116.707
flat angles P-C4'-P energy: -71.613
tors. eta vs tors. theta energy: -145.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -1779.782539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.782539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.782539 (E_RNA)
where:
Base-Base interactions energy: -1264.196
where: short stacking energy: -539.817
Base-Backbone interact. energy: -1.981
local terms energy: -513.605303
where:
bonds (distance) C4'-P energy: -88.846
bonds (distance) P-C4' energy: -89.078
flat angles C4'-P-C4' energy: -121.307
flat angles P-C4'-P energy: -61.502
tors. eta vs tors. theta energy: -152.872
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: 8
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -1716.431499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.431499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.431499 (E_RNA)
where:
Base-Base interactions energy: -1232.017
where: short stacking energy: -490.909
Base-Backbone interact. energy: -3.613
local terms energy: -480.801235
where:
bonds (distance) C4'-P energy: -75.473
bonds (distance) P-C4' energy: -90.894
flat angles C4'-P-C4' energy: -113.098
flat angles P-C4'-P energy: -75.446
tors. eta vs tors. theta energy: -125.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -1614.426185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1614.426185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1614.426185 (E_RNA)
where:
Base-Base interactions energy: -1117.108
where: short stacking energy: -462.021
Base-Backbone interact. energy: -1.130
local terms energy: -496.187987
where:
bonds (distance) C4'-P energy: -101.044
bonds (distance) P-C4' energy: -100.318
flat angles C4'-P-C4' energy: -91.251
flat angles P-C4'-P energy: -70.063
tors. eta vs tors. theta energy: -133.512
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: 7
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -1551.351859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.351859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.351859 (E_RNA)
where:
Base-Base interactions energy: -1086.732
where: short stacking energy: -468.720
Base-Backbone interact. energy: -1.012
local terms energy: -463.607572
where:
bonds (distance) C4'-P energy: -92.496
bonds (distance) P-C4' energy: -83.934
flat angles C4'-P-C4' energy: -109.346
flat angles P-C4'-P energy: -55.189
tors. eta vs tors. theta energy: -122.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -1438.811783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1438.811783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1438.811783 (E_RNA)
where:
Base-Base interactions energy: -1008.225
where: short stacking energy: -442.288
Base-Backbone interact. energy: -1.260
local terms energy: -429.325902
where:
bonds (distance) C4'-P energy: -80.849
bonds (distance) P-C4' energy: -81.297
flat angles C4'-P-C4' energy: -93.177
flat angles P-C4'-P energy: -69.601
tors. eta vs tors. theta energy: -104.402
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: 6
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -1311.852802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1311.852802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1311.852802 (E_RNA)
where:
Base-Base interactions energy: -922.607
where: short stacking energy: -387.092
Base-Backbone interact. energy: 1.110
local terms energy: -390.355391
where:
bonds (distance) C4'-P energy: -91.167
bonds (distance) P-C4' energy: -85.172
flat angles C4'-P-C4' energy: -91.418
flat angles P-C4'-P energy: -39.229
tors. eta vs tors. theta energy: -83.370
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: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -1128.400545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1128.400545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1128.400545 (E_RNA)
where:
Base-Base interactions energy: -740.524
where: short stacking energy: -337.006
Base-Backbone interact. energy: 0.269
local terms energy: -388.146060
where:
bonds (distance) C4'-P energy: -84.021
bonds (distance) P-C4' energy: -87.548
flat angles C4'-P-C4' energy: -94.299
flat angles P-C4'-P energy: -61.913
tors. eta vs tors. theta energy: -60.365
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: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -876.033822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -876.033822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -876.033822 (E_RNA)
where:
Base-Base interactions energy: -540.669
where: short stacking energy: -242.064
Base-Backbone interact. energy: 0.788
local terms energy: -336.152553
where:
bonds (distance) C4'-P energy: -86.359
bonds (distance) P-C4' energy: -84.297
flat angles C4'-P-C4' energy: -80.832
flat angles P-C4'-P energy: -65.100
tors. eta vs tors. theta energy: -19.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -1986.919092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1986.919092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1986.919092 (E_RNA)
where:
Base-Base interactions energy: -1411.146
where: short stacking energy: -554.742
Base-Backbone interact. energy: -1.706
local terms energy: -574.067425
where:
bonds (distance) C4'-P energy: -110.041
bonds (distance) P-C4' energy: -100.038
flat angles C4'-P-C4' energy: -110.788
flat angles P-C4'-P energy: -93.644
tors. eta vs tors. theta energy: -159.557
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: 1
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -1896.700614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.700614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.700614 (E_RNA)
where:
Base-Base interactions energy: -1363.131
where: short stacking energy: -534.855
Base-Backbone interact. energy: 0.502
local terms energy: -534.071253
where:
bonds (distance) C4'-P energy: -100.833
bonds (distance) P-C4' energy: -97.677
flat angles C4'-P-C4' energy: -112.928
flat angles P-C4'-P energy: -76.156
tors. eta vs tors. theta energy: -146.477
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: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -1750.472710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.472710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.472710 (E_RNA)
where:
Base-Base interactions energy: -1229.328
where: short stacking energy: -507.176
Base-Backbone interact. energy: -1.061
local terms energy: -520.084040
where:
bonds (distance) C4'-P energy: -95.591
bonds (distance) P-C4' energy: -100.797
flat angles C4'-P-C4' energy: -113.625
flat angles P-C4'-P energy: -71.260
tors. eta vs tors. theta energy: -138.810
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: 8
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -1706.104561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.104561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.104561 (E_RNA)
where:
Base-Base interactions energy: -1192.713
where: short stacking energy: -479.460
Base-Backbone interact. energy: -2.550
local terms energy: -510.841711
where:
bonds (distance) C4'-P energy: -89.229
bonds (distance) P-C4' energy: -98.657
flat angles C4'-P-C4' energy: -114.688
flat angles P-C4'-P energy: -71.034
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: 5, replica: 3
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -1605.390852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1605.390852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1605.390852 (E_RNA)
where:
Base-Base interactions energy: -1141.708
where: short stacking energy: -464.821
Base-Backbone interact. energy: -3.168
local terms energy: -460.514591
where:
bonds (distance) C4'-P energy: -84.155
bonds (distance) P-C4' energy: -92.683
flat angles C4'-P-C4' energy: -104.780
flat angles P-C4'-P energy: -67.443
tors. eta vs tors. theta energy: -111.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -1490.945865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1490.945865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1490.945865 (E_RNA)
where:
Base-Base interactions energy: -1040.932
where: short stacking energy: -436.907
Base-Backbone interact. energy: -1.348
local terms energy: -448.666169
where:
bonds (distance) C4'-P energy: -97.301
bonds (distance) P-C4' energy: -96.387
flat angles C4'-P-C4' energy: -73.111
flat angles P-C4'-P energy: -72.489
tors. eta vs tors. theta energy: -109.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -1442.582108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.582108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.582108 (E_RNA)
where:
Base-Base interactions energy: -1006.583
where: short stacking energy: -410.853
Base-Backbone interact. energy: -1.625
local terms energy: -434.373939
where:
bonds (distance) C4'-P energy: -78.536
bonds (distance) P-C4' energy: -92.806
flat angles C4'-P-C4' energy: -98.829
flat angles P-C4'-P energy: -67.173
tors. eta vs tors. theta energy: -97.030
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: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -1334.609216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1334.609216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1334.609216 (E_RNA)
where:
Base-Base interactions energy: -926.924
where: short stacking energy: -394.420
Base-Backbone interact. energy: -3.681
local terms energy: -404.003390
where:
bonds (distance) C4'-P energy: -68.606
bonds (distance) P-C4' energy: -94.987
flat angles C4'-P-C4' energy: -104.809
flat angles P-C4'-P energy: -49.981
tors. eta vs tors. theta energy: -85.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -1110.012469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1110.012469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1110.012469 (E_RNA)
where:
Base-Base interactions energy: -711.105
where: short stacking energy: -312.788
Base-Backbone interact. energy: -2.506
local terms energy: -396.401661
where:
bonds (distance) C4'-P energy: -93.559
bonds (distance) P-C4' energy: -80.087
flat angles C4'-P-C4' energy: -88.099
flat angles P-C4'-P energy: -61.843
tors. eta vs tors. theta energy: -72.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -861.611903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -861.611903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -861.611903 (E_RNA)
where:
Base-Base interactions energy: -531.273
where: short stacking energy: -245.896
Base-Backbone interact. energy: 2.229
local terms energy: -332.568200
where:
bonds (distance) C4'-P energy: -82.439
bonds (distance) P-C4' energy: -96.281
flat angles C4'-P-C4' energy: -76.808
flat angles P-C4'-P energy: -43.222
tors. eta vs tors. theta energy: -33.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -1984.225448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1984.225448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1984.225448 (E_RNA)
where:
Base-Base interactions energy: -1429.885
where: short stacking energy: -585.649
Base-Backbone interact. energy: -1.189
local terms energy: -553.150862
where:
bonds (distance) C4'-P energy: -94.865
bonds (distance) P-C4' energy: -103.287
flat angles C4'-P-C4' energy: -112.570
flat angles P-C4'-P energy: -74.797
tors. eta vs tors. theta energy: -167.632
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: 461
Temperature: 0.950000
Total energy: -1875.987874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.987874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.987874 (E_RNA)
where:
Base-Base interactions energy: -1355.136
where: short stacking energy: -540.670
Base-Backbone interact. energy: -1.069
local terms energy: -519.782566
where:
bonds (distance) C4'-P energy: -94.982
bonds (distance) P-C4' energy: -92.037
flat angles C4'-P-C4' energy: -104.114
flat angles P-C4'-P energy: -80.523
tors. eta vs tors. theta energy: -148.127
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: 461
Temperature: 1.000000
Total energy: -1798.091446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1798.091446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1798.091446 (E_RNA)
where:
Base-Base interactions energy: -1275.758
where: short stacking energy: -528.815
Base-Backbone interact. energy: -1.540
local terms energy: -520.793705
where:
bonds (distance) C4'-P energy: -93.065
bonds (distance) P-C4' energy: -97.220
flat angles C4'-P-C4' energy: -107.847
flat angles P-C4'-P energy: -79.634
tors. eta vs tors. theta energy: -143.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -1706.793125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.793125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.793125 (E_RNA)
where:
Base-Base interactions energy: -1208.188
where: short stacking energy: -477.531
Base-Backbone interact. energy: -1.786
local terms energy: -496.818697
where:
bonds (distance) C4'-P energy: -100.336
bonds (distance) P-C4' energy: -93.787
flat angles C4'-P-C4' energy: -98.425
flat angles P-C4'-P energy: -82.011
tors. eta vs tors. theta energy: -122.259
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: 461
Temperature: 1.100000
Total energy: -1615.042652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1615.042652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1615.042652 (E_RNA)
where:
Base-Base interactions energy: -1134.427
where: short stacking energy: -460.338
Base-Backbone interact. energy: -0.622
local terms energy: -479.993823
where:
bonds (distance) C4'-P energy: -83.286
bonds (distance) P-C4' energy: -97.064
flat angles C4'-P-C4' energy: -111.365
flat angles P-C4'-P energy: -63.365
tors. eta vs tors. theta energy: -124.913
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: 7
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -1540.518531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1540.518531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1540.518531 (E_RNA)
where:
Base-Base interactions energy: -1072.406
where: short stacking energy: -462.800
Base-Backbone interact. energy: -2.326
local terms energy: -465.786474
where:
bonds (distance) C4'-P energy: -88.146
bonds (distance) P-C4' energy: -91.483
flat angles C4'-P-C4' energy: -98.043
flat angles P-C4'-P energy: -67.820
tors. eta vs tors. theta energy: -120.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -1415.274321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1415.274321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1415.274321 (E_RNA)
where:
Base-Base interactions energy: -994.717
where: short stacking energy: -420.846
Base-Backbone interact. energy: -2.433
local terms energy: -418.124057
where:
bonds (distance) C4'-P energy: -84.797
bonds (distance) P-C4' energy: -83.519
flat angles C4'-P-C4' energy: -84.583
flat angles P-C4'-P energy: -67.712
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: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -1243.132341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1243.132341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1243.132341 (E_RNA)
where:
Base-Base interactions energy: -842.355
where: short stacking energy: -347.823
Base-Backbone interact. energy: -1.638
local terms energy: -399.139164
where:
bonds (distance) C4'-P energy: -83.883
bonds (distance) P-C4' energy: -83.183
flat angles C4'-P-C4' energy: -101.167
flat angles P-C4'-P energy: -51.472
tors. eta vs tors. theta energy: -79.435
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: 5
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -1089.728907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1089.728907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1089.728907 (E_RNA)
where:
Base-Base interactions energy: -724.014
where: short stacking energy: -296.673
Base-Backbone interact. energy: 2.605
local terms energy: -368.320388
where:
bonds (distance) C4'-P energy: -79.661
bonds (distance) P-C4' energy: -88.193
flat angles C4'-P-C4' energy: -88.591
flat angles P-C4'-P energy: -54.549
tors. eta vs tors. theta energy: -57.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -844.427835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -844.427835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -844.427835 (E_RNA)
where:
Base-Base interactions energy: -523.529
where: short stacking energy: -261.672
Base-Backbone interact. energy: -0.701
local terms energy: -320.197596
where:
bonds (distance) C4'-P energy: -76.098
bonds (distance) P-C4' energy: -92.581
flat angles C4'-P-C4' energy: -77.616
flat angles P-C4'-P energy: -47.953
tors. eta vs tors. theta energy: -25.950
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: 462
Temperature: 0.900000
Total energy: -1971.285607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.285607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.285607 (E_RNA)
where:
Base-Base interactions energy: -1427.317
where: short stacking energy: -576.193
Base-Backbone interact. energy: 1.249
local terms energy: -545.217669
where:
bonds (distance) C4'-P energy: -84.441
bonds (distance) P-C4' energy: -108.167
flat angles C4'-P-C4' energy: -113.842
flat angles P-C4'-P energy: -77.196
tors. eta vs tors. theta energy: -161.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -1864.141803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.141803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.141803 (E_RNA)
where:
Base-Base interactions energy: -1340.500
where: short stacking energy: -498.907
Base-Backbone interact. energy: 3.781
local terms energy: -527.422403
where:
bonds (distance) C4'-P energy: -93.936
bonds (distance) P-C4' energy: -105.985
flat angles C4'-P-C4' energy: -113.641
flat angles P-C4'-P energy: -85.442
tors. eta vs tors. theta energy: -128.418
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: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -1774.204247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1774.204247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1774.204247 (E_RNA)
where:
Base-Base interactions energy: -1247.939
where: short stacking energy: -540.213
Base-Backbone interact. energy: 0.040
local terms energy: -526.305765
where:
bonds (distance) C4'-P energy: -98.824
bonds (distance) P-C4' energy: -105.643
flat angles C4'-P-C4' energy: -110.137
flat angles P-C4'-P energy: -68.697
tors. eta vs tors. theta energy: -143.005
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: 8
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -1749.580672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1749.580672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1749.580672 (E_RNA)
where:
Base-Base interactions energy: -1230.183
where: short stacking energy: -501.771
Base-Backbone interact. energy: -0.804
local terms energy: -518.593388
where:
bonds (distance) C4'-P energy: -91.048
bonds (distance) P-C4' energy: -93.875
flat angles C4'-P-C4' energy: -114.350
flat angles P-C4'-P energy: -66.658
tors. eta vs tors. theta energy: -152.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -1606.036930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1606.036930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1606.036930 (E_RNA)
where:
Base-Base interactions energy: -1142.846
where: short stacking energy: -454.513
Base-Backbone interact. energy: 2.993
local terms energy: -466.183082
where:
bonds (distance) C4'-P energy: -81.472
bonds (distance) P-C4' energy: -104.290
flat angles C4'-P-C4' energy: -101.405
flat angles P-C4'-P energy: -60.084
tors. eta vs tors. theta energy: -118.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -1526.461802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1526.461802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1526.461802 (E_RNA)
where:
Base-Base interactions energy: -1077.395
where: short stacking energy: -440.990
Base-Backbone interact. energy: 0.902
local terms energy: -449.968550
where:
bonds (distance) C4'-P energy: -82.288
bonds (distance) P-C4' energy: -85.932
flat angles C4'-P-C4' energy: -103.188
flat angles P-C4'-P energy: -65.677
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: 9
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -1439.136973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1439.136973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1439.136973 (E_RNA)
where:
Base-Base interactions energy: -997.226
where: short stacking energy: -419.108
Base-Backbone interact. energy: -0.689
local terms energy: -441.221268
where:
bonds (distance) C4'-P energy: -93.236
bonds (distance) P-C4' energy: -75.000
flat angles C4'-P-C4' energy: -105.021
flat angles P-C4'-P energy: -61.697
tors. eta vs tors. theta energy: -106.267
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: 6
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -1251.091473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1251.091473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1251.091473 (E_RNA)
where:
Base-Base interactions energy: -850.638
where: short stacking energy: -378.651
Base-Backbone interact. energy: 2.179
local terms energy: -402.632100
where:
bonds (distance) C4'-P energy: -79.308
bonds (distance) P-C4' energy: -76.628
flat angles C4'-P-C4' energy: -101.276
flat angles P-C4'-P energy: -47.407
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: 9, replica: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -1073.757824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.757824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.757824 (E_RNA)
where:
Base-Base interactions energy: -739.867
where: short stacking energy: -321.620
Base-Backbone interact. energy: 2.648
local terms energy: -336.539048
where:
bonds (distance) C4'-P energy: -76.088
bonds (distance) P-C4' energy: -80.911
flat angles C4'-P-C4' energy: -72.625
flat angles P-C4'-P energy: -37.147
tors. eta vs tors. theta energy: -69.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -864.013768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.013768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.013768 (E_RNA)
where:
Base-Base interactions energy: -530.826
where: short stacking energy: -247.657
Base-Backbone interact. energy: 1.777
local terms energy: -334.965073
where:
bonds (distance) C4'-P energy: -90.776
bonds (distance) P-C4' energy: -84.356
flat angles C4'-P-C4' energy: -52.649
flat angles P-C4'-P energy: -65.470
tors. eta vs tors. theta energy: -41.714
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: 1, replica: 2
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -1960.909607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.909607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.909607 (E_RNA)
where:
Base-Base interactions energy: -1383.233
where: short stacking energy: -541.998
Base-Backbone interact. energy: -4.168
local terms energy: -573.508756
where:
bonds (distance) C4'-P energy: -103.146
bonds (distance) P-C4' energy: -110.248
flat angles C4'-P-C4' energy: -113.505
flat angles P-C4'-P energy: -85.663
tors. eta vs tors. theta energy: -160.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -1869.321707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.321707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.321707 (E_RNA)
where:
Base-Base interactions energy: -1339.725
where: short stacking energy: -540.887
Base-Backbone interact. energy: -1.246
local terms energy: -528.351247
where:
bonds (distance) C4'-P energy: -99.653
bonds (distance) P-C4' energy: -91.232
flat angles C4'-P-C4' energy: -108.415
flat angles P-C4'-P energy: -80.149
tors. eta vs tors. theta energy: -148.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -1779.224793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1779.224793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1779.224793 (E_RNA)
where:
Base-Base interactions energy: -1258.115
where: short stacking energy: -526.145
Base-Backbone interact. energy: -1.062
local terms energy: -520.048078
where:
bonds (distance) C4'-P energy: -90.128
bonds (distance) P-C4' energy: -95.358
flat angles C4'-P-C4' energy: -115.032
flat angles P-C4'-P energy: -80.547
tors. eta vs tors. theta energy: -138.983
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: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -1750.228272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1750.228272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1750.228272 (E_RNA)
where:
Base-Base interactions energy: -1237.713
where: short stacking energy: -478.985
Base-Backbone interact. energy: -0.989
local terms energy: -511.526503
where:
bonds (distance) C4'-P energy: -92.871
bonds (distance) P-C4' energy: -97.675
flat angles C4'-P-C4' energy: -110.902
flat angles P-C4'-P energy: -81.230
tors. eta vs tors. theta energy: -128.849
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: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -1616.282356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1616.282356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1616.282356 (E_RNA)
where:
Base-Base interactions energy: -1149.134
where: short stacking energy: -464.505
Base-Backbone interact. energy: 3.434
local terms energy: -470.582162
where:
bonds (distance) C4'-P energy: -92.599
bonds (distance) P-C4' energy: -84.389
flat angles C4'-P-C4' energy: -106.229
flat angles P-C4'-P energy: -64.076
tors. eta vs tors. theta energy: -123.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -1549.222975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1549.222975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1549.222975 (E_RNA)
where:
Base-Base interactions energy: -1069.242
where: short stacking energy: -463.865
Base-Backbone interact. energy: 2.091
local terms energy: -482.072150
where:
bonds (distance) C4'-P energy: -91.345
bonds (distance) P-C4' energy: -100.963
flat angles C4'-P-C4' energy: -105.269
flat angles P-C4'-P energy: -55.334
tors. eta vs tors. theta energy: -129.161
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: 9
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -1402.786131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1402.786131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1402.786131 (E_RNA)
where:
Base-Base interactions energy: -1002.624
where: short stacking energy: -414.091
Base-Backbone interact. energy: 3.374
local terms energy: -403.536431
where:
bonds (distance) C4'-P energy: -60.344
bonds (distance) P-C4' energy: -89.210
flat angles C4'-P-C4' energy: -91.505
flat angles P-C4'-P energy: -76.085
tors. eta vs tors. theta energy: -86.392
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: 463
Temperature: 1.250000
Total energy: -1285.848183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1285.848183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1285.848183 (E_RNA)
where:
Base-Base interactions energy: -859.085
where: short stacking energy: -360.852
Base-Backbone interact. energy: 3.653
local terms energy: -430.415947
where:
bonds (distance) C4'-P energy: -80.533
bonds (distance) P-C4' energy: -78.123
flat angles C4'-P-C4' energy: -100.754
flat angles P-C4'-P energy: -71.413
tors. eta vs tors. theta energy: -99.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -1090.673632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1090.673632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1090.673632 (E_RNA)
where:
Base-Base interactions energy: -728.120
where: short stacking energy: -314.697
Base-Backbone interact. energy: -0.780
local terms energy: -361.773615
where:
bonds (distance) C4'-P energy: -75.987
bonds (distance) P-C4' energy: -94.099
flat angles C4'-P-C4' energy: -85.339
flat angles P-C4'-P energy: -48.677
tors. eta vs tors. theta energy: -57.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -847.937894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -847.937894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -847.937894 (E_RNA)
where:
Base-Base interactions energy: -544.837
where: short stacking energy: -248.868
Base-Backbone interact. energy: 0.404
local terms energy: -303.504803
where:
bonds (distance) C4'-P energy: -65.712
bonds (distance) P-C4' energy: -83.813
flat angles C4'-P-C4' energy: -83.217
flat angles P-C4'-P energy: -43.143
tors. eta vs tors. theta energy: -27.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -1972.724398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1972.724398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1972.724398 (E_RNA)
where:
Base-Base interactions energy: -1403.350
where: short stacking energy: -562.881
Base-Backbone interact. energy: 1.081
local terms energy: -570.455567
where:
bonds (distance) C4'-P energy: -100.260
bonds (distance) P-C4' energy: -97.422
flat angles C4'-P-C4' energy: -125.236
flat angles P-C4'-P energy: -80.753
tors. eta vs tors. theta energy: -166.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -1913.877540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1913.877540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1913.877540 (E_RNA)
where:
Base-Base interactions energy: -1392.189
where: short stacking energy: -547.757
Base-Backbone interact. energy: 7.651
local terms energy: -529.339486
where:
bonds (distance) C4'-P energy: -93.083
bonds (distance) P-C4' energy: -89.662
flat angles C4'-P-C4' energy: -113.298
flat angles P-C4'-P energy: -81.852
tors. eta vs tors. theta energy: -151.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -1768.764998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.764998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.764998 (E_RNA)
where:
Base-Base interactions energy: -1268.654
where: short stacking energy: -523.614
Base-Backbone interact. energy: 0.437
local terms energy: -500.548703
where:
bonds (distance) C4'-P energy: -86.405
bonds (distance) P-C4' energy: -93.097
flat angles C4'-P-C4' energy: -114.305
flat angles P-C4'-P energy: -69.323
tors. eta vs tors. theta energy: -137.418
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: 464
Temperature: 1.050000
Total energy: -1727.331152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1727.331152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1727.331152 (E_RNA)
where:
Base-Base interactions energy: -1219.374
where: short stacking energy: -507.804
Base-Backbone interact. energy: 4.723
local terms energy: -512.680357
where:
bonds (distance) C4'-P energy: -98.729
bonds (distance) P-C4' energy: -90.134
flat angles C4'-P-C4' energy: -108.249
flat angles P-C4'-P energy: -75.742
tors. eta vs tors. theta energy: -139.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -1633.850733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1633.850733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1633.850733 (E_RNA)
where:
Base-Base interactions energy: -1142.555
where: short stacking energy: -488.636
Base-Backbone interact. energy: -1.346
local terms energy: -489.950187
where:
bonds (distance) C4'-P energy: -90.869
bonds (distance) P-C4' energy: -92.173
flat angles C4'-P-C4' energy: -103.375
flat angles P-C4'-P energy: -73.320
tors. eta vs tors. theta energy: -130.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -1589.911426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1589.911426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1589.911426 (E_RNA)
where:
Base-Base interactions energy: -1120.596
where: short stacking energy: -467.992
Base-Backbone interact. energy: -3.823
local terms energy: -465.492871
where:
bonds (distance) C4'-P energy: -82.937
bonds (distance) P-C4' energy: -86.868
flat angles C4'-P-C4' energy: -106.731
flat angles P-C4'-P energy: -63.352
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: 9
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -1419.538287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.538287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.538287 (E_RNA)
where:
Base-Base interactions energy: -989.777
where: short stacking energy: -428.984
Base-Backbone interact. energy: -2.986
local terms energy: -426.775695
where:
bonds (distance) C4'-P energy: -67.295
bonds (distance) P-C4' energy: -86.007
flat angles C4'-P-C4' energy: -107.910
flat angles P-C4'-P energy: -63.073
tors. eta vs tors. theta energy: -102.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -1310.148231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1310.148231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1310.148231 (E_RNA)
where:
Base-Base interactions energy: -888.525
where: short stacking energy: -370.689
Base-Backbone interact. energy: 1.981
local terms energy: -423.604926
where:
bonds (distance) C4'-P energy: -82.945
bonds (distance) P-C4' energy: -81.648
flat angles C4'-P-C4' energy: -100.752
flat angles P-C4'-P energy: -68.884
tors. eta vs tors. theta energy: -89.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -1073.351651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1073.351651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1073.351651 (E_RNA)
where:
Base-Base interactions energy: -680.228
where: short stacking energy: -290.783
Base-Backbone interact. energy: -1.947
local terms energy: -391.176575
where:
bonds (distance) C4'-P energy: -89.125
bonds (distance) P-C4' energy: -90.035
flat angles C4'-P-C4' energy: -89.903
flat angles P-C4'-P energy: -70.112
tors. eta vs tors. theta energy: -52.001
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: 10
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -855.773110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -855.773110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -855.773110 (E_RNA)
where:
Base-Base interactions energy: -529.707
where: short stacking energy: -236.750
Base-Backbone interact. energy: -0.894
local terms energy: -325.172532
where:
bonds (distance) C4'-P energy: -74.800
bonds (distance) P-C4' energy: -88.347
flat angles C4'-P-C4' energy: -93.076
flat angles P-C4'-P energy: -50.852
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -1969.942406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1969.942406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1969.942406 (E_RNA)
where:
Base-Base interactions energy: -1397.023
where: short stacking energy: -559.959
Base-Backbone interact. energy: 0.372
local terms energy: -573.290940
where:
bonds (distance) C4'-P energy: -100.460
bonds (distance) P-C4' energy: -112.025
flat angles C4'-P-C4' energy: -123.645
flat angles P-C4'-P energy: -73.757
tors. eta vs tors. theta energy: -163.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -1930.509587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1930.509587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1930.509587 (E_RNA)
where:
Base-Base interactions energy: -1393.951
where: short stacking energy: -553.021
Base-Backbone interact. energy: -1.868
local terms energy: -534.690090
where:
bonds (distance) C4'-P energy: -92.909
bonds (distance) P-C4' energy: -88.217
flat angles C4'-P-C4' energy: -124.044
flat angles P-C4'-P energy: -81.317
tors. eta vs tors. theta energy: -148.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -1765.989332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.989332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.989332 (E_RNA)
where:
Base-Base interactions energy: -1251.836
where: short stacking energy: -508.232
Base-Backbone interact. energy: 0.212
local terms energy: -514.365337
where:
bonds (distance) C4'-P energy: -84.274
bonds (distance) P-C4' energy: -98.239
flat angles C4'-P-C4' energy: -116.651
flat angles P-C4'-P energy: -67.490
tors. eta vs tors. theta energy: -147.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -1722.709978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.709978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.709978 (E_RNA)
where:
Base-Base interactions energy: -1211.118
where: short stacking energy: -499.308
Base-Backbone interact. energy: -1.499
local terms energy: -510.093401
where:
bonds (distance) C4'-P energy: -93.103
bonds (distance) P-C4' energy: -100.899
flat angles C4'-P-C4' energy: -107.549
flat angles P-C4'-P energy: -75.534
tors. eta vs tors. theta energy: -133.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -1676.436639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.436639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.436639 (E_RNA)
where:
Base-Base interactions energy: -1192.044
where: short stacking energy: -513.456
Base-Backbone interact. energy: -2.203
local terms energy: -482.189376
where:
bonds (distance) C4'-P energy: -73.138
bonds (distance) P-C4' energy: -85.467
flat angles C4'-P-C4' energy: -110.394
flat angles P-C4'-P energy: -74.688
tors. eta vs tors. theta energy: -138.503
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: 6, replica: 7
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -1501.418515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.418515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.418515 (E_RNA)
where:
Base-Base interactions energy: -1052.870
where: short stacking energy: -450.731
Base-Backbone interact. energy: -1.819
local terms energy: -446.729057
where:
bonds (distance) C4'-P energy: -95.729
bonds (distance) P-C4' energy: -82.962
flat angles C4'-P-C4' energy: -102.645
flat angles P-C4'-P energy: -50.583
tors. eta vs tors. theta energy: -114.809
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: 9
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -1411.208758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.208758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.208758 (E_RNA)
where:
Base-Base interactions energy: -976.387
where: short stacking energy: -392.514
Base-Backbone interact. energy: -2.000
local terms energy: -432.821596
where:
bonds (distance) C4'-P energy: -96.130
bonds (distance) P-C4' energy: -88.541
flat angles C4'-P-C4' energy: -96.474
flat angles P-C4'-P energy: -59.755
tors. eta vs tors. theta energy: -91.921
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: 8, replica: 6
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -1279.827559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1279.827559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1279.827559 (E_RNA)
where:
Base-Base interactions energy: -882.339
where: short stacking energy: -371.686
Base-Backbone interact. energy: 2.614
local terms energy: -400.102712
where:
bonds (distance) C4'-P energy: -82.349
bonds (distance) P-C4' energy: -89.313
flat angles C4'-P-C4' energy: -89.654
flat angles P-C4'-P energy: -48.035
tors. eta vs tors. theta energy: -90.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -1039.801822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.801822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.801822 (E_RNA)
where:
Base-Base interactions energy: -679.031
where: short stacking energy: -302.188
Base-Backbone interact. energy: 0.617
local terms energy: -361.387244
where:
bonds (distance) C4'-P energy: -79.803
bonds (distance) P-C4' energy: -85.443
flat angles C4'-P-C4' energy: -87.285
flat angles P-C4'-P energy: -56.586
tors. eta vs tors. theta energy: -52.269
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: 10
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -900.214168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -900.214168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -900.214168 (E_RNA)
where:
Base-Base interactions energy: -552.419
where: short stacking energy: -258.598
Base-Backbone interact. energy: 2.465
local terms energy: -350.260057
where:
bonds (distance) C4'-P energy: -79.633
bonds (distance) P-C4' energy: -81.951
flat angles C4'-P-C4' energy: -88.436
flat angles P-C4'-P energy: -59.617
tors. eta vs tors. theta energy: -40.623
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: 2
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -1979.474988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.474988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.474988 (E_RNA)
where:
Base-Base interactions energy: -1407.587
where: short stacking energy: -568.667
Base-Backbone interact. energy: -3.388
local terms energy: -568.499485
where:
bonds (distance) C4'-P energy: -99.713
bonds (distance) P-C4' energy: -112.480
flat angles C4'-P-C4' energy: -124.842
flat angles P-C4'-P energy: -70.865
tors. eta vs tors. theta energy: -160.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -1903.144669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.144669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.144669 (E_RNA)
where:
Base-Base interactions energy: -1392.538
where: short stacking energy: -555.155
Base-Backbone interact. energy: 9.757
local terms energy: -520.362702
where:
bonds (distance) C4'-P energy: -89.695
bonds (distance) P-C4' energy: -108.658
flat angles C4'-P-C4' energy: -124.012
flat angles P-C4'-P energy: -51.383
tors. eta vs tors. theta energy: -146.614
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: 8
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -1743.387841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1743.387841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1743.387841 (E_RNA)
where:
Base-Base interactions energy: -1221.268
where: short stacking energy: -492.179
Base-Backbone interact. energy: -2.465
local terms energy: -519.654459
where:
bonds (distance) C4'-P energy: -101.838
bonds (distance) P-C4' energy: -99.533
flat angles C4'-P-C4' energy: -113.530
flat angles P-C4'-P energy: -66.024
tors. eta vs tors. theta energy: -138.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -1731.541528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1731.541528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1731.541528 (E_RNA)
where:
Base-Base interactions energy: -1230.415
where: short stacking energy: -506.893
Base-Backbone interact. energy: -3.197
local terms energy: -497.929344
where:
bonds (distance) C4'-P energy: -95.745
bonds (distance) P-C4' energy: -95.051
flat angles C4'-P-C4' energy: -102.821
flat angles P-C4'-P energy: -75.050
tors. eta vs tors. theta energy: -129.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -1650.725691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1650.725691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1650.725691 (E_RNA)
where:
Base-Base interactions energy: -1168.044
where: short stacking energy: -447.894
Base-Backbone interact. energy: 1.261
local terms energy: -483.943344
where:
bonds (distance) C4'-P energy: -90.619
bonds (distance) P-C4' energy: -96.973
flat angles C4'-P-C4' energy: -93.126
flat angles P-C4'-P energy: -80.630
tors. eta vs tors. theta energy: -122.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -1506.700497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1506.700497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1506.700497 (E_RNA)
where:
Base-Base interactions energy: -1051.717
where: short stacking energy: -452.724
Base-Backbone interact. energy: -1.047
local terms energy: -453.936241
where:
bonds (distance) C4'-P energy: -90.129
bonds (distance) P-C4' energy: -80.928
flat angles C4'-P-C4' energy: -103.818
flat angles P-C4'-P energy: -64.774
tors. eta vs tors. theta energy: -114.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -1444.322276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1444.322276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1444.322276 (E_RNA)
where:
Base-Base interactions energy: -1005.558
where: short stacking energy: -425.153
Base-Backbone interact. energy: -0.968
local terms energy: -437.795853
where:
bonds (distance) C4'-P energy: -83.383
bonds (distance) P-C4' energy: -91.729
flat angles C4'-P-C4' energy: -90.334
flat angles P-C4'-P energy: -63.881
tors. eta vs tors. theta energy: -108.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -1227.976490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.976490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.976490 (E_RNA)
where:
Base-Base interactions energy: -807.750
where: short stacking energy: -358.580
Base-Backbone interact. energy: -1.667
local terms energy: -418.559971
where:
bonds (distance) C4'-P energy: -101.628
bonds (distance) P-C4' energy: -90.044
flat angles C4'-P-C4' energy: -91.749
flat angles P-C4'-P energy: -63.084
tors. eta vs tors. theta energy: -72.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -1034.670869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1034.670869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1034.670869 (E_RNA)
where:
Base-Base interactions energy: -731.853
where: short stacking energy: -311.729
Base-Backbone interact. energy: -0.663
local terms energy: -302.154750
where:
bonds (distance) C4'-P energy: -69.466
bonds (distance) P-C4' energy: -81.406
flat angles C4'-P-C4' energy: -64.932
flat angles P-C4'-P energy: -34.391
tors. eta vs tors. theta energy: -51.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -802.034121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -802.034121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -802.034121 (E_RNA)
where:
Base-Base interactions energy: -493.956
where: short stacking energy: -225.287
Base-Backbone interact. energy: -0.172
local terms energy: -307.905588
where:
bonds (distance) C4'-P energy: -77.514
bonds (distance) P-C4' energy: -102.352
flat angles C4'-P-C4' energy: -69.425
flat angles P-C4'-P energy: -51.773
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -1980.816442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1980.816442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1980.816442 (E_RNA)
where:
Base-Base interactions energy: -1394.115
where: short stacking energy: -550.462
Base-Backbone interact. energy: -0.244
local terms energy: -586.456684
where:
bonds (distance) C4'-P energy: -109.387
bonds (distance) P-C4' energy: -109.949
flat angles C4'-P-C4' energy: -117.035
flat angles P-C4'-P energy: -85.977
tors. eta vs tors. theta energy: -164.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -1885.193725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1885.193725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1885.193725 (E_RNA)
where:
Base-Base interactions energy: -1341.426
where: short stacking energy: -539.592
Base-Backbone interact. energy: -3.403
local terms energy: -540.364179
where:
bonds (distance) C4'-P energy: -97.551
bonds (distance) P-C4' energy: -108.031
flat angles C4'-P-C4' energy: -108.974
flat angles P-C4'-P energy: -83.817
tors. eta vs tors. theta energy: -141.991
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: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -1755.074671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1755.074671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1755.074671 (E_RNA)
where:
Base-Base interactions energy: -1234.780
where: short stacking energy: -514.459
Base-Backbone interact. energy: -0.940
local terms energy: -519.355596
where:
bonds (distance) C4'-P energy: -99.818
bonds (distance) P-C4' energy: -91.862
flat angles C4'-P-C4' energy: -117.140
flat angles P-C4'-P energy: -66.956
tors. eta vs tors. theta energy: -143.579
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: 467
Temperature: 1.050000
Total energy: -1678.143414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1678.143414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1678.143414 (E_RNA)
where:
Base-Base interactions energy: -1169.762
where: short stacking energy: -477.588
Base-Backbone interact. energy: -1.979
local terms energy: -506.402370
where:
bonds (distance) C4'-P energy: -80.823
bonds (distance) P-C4' energy: -100.863
flat angles C4'-P-C4' energy: -111.618
flat angles P-C4'-P energy: -79.647
tors. eta vs tors. theta energy: -133.451
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: 467
Temperature: 1.100000
Total energy: -1663.258049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1663.258049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1663.258049 (E_RNA)
where:
Base-Base interactions energy: -1203.266
where: short stacking energy: -475.253
Base-Backbone interact. energy: -1.341
local terms energy: -458.650575
where:
bonds (distance) C4'-P energy: -79.805
bonds (distance) P-C4' energy: -97.541
flat angles C4'-P-C4' energy: -97.598
flat angles P-C4'-P energy: -69.936
tors. eta vs tors. theta energy: -113.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -1426.618369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.618369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.618369 (E_RNA)
where:
Base-Base interactions energy: -993.513
where: short stacking energy: -412.984
Base-Backbone interact. energy: -1.130
local terms energy: -431.974490
where:
bonds (distance) C4'-P energy: -80.329
bonds (distance) P-C4' energy: -101.700
flat angles C4'-P-C4' energy: -105.081
flat angles P-C4'-P energy: -47.796
tors. eta vs tors. theta energy: -97.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -1442.247587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1442.247587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1442.247587 (E_RNA)
where:
Base-Base interactions energy: -1024.119
where: short stacking energy: -439.655
Base-Backbone interact. energy: 0.868
local terms energy: -418.996844
where:
bonds (distance) C4'-P energy: -70.913
bonds (distance) P-C4' energy: -86.790
flat angles C4'-P-C4' energy: -85.961
flat angles P-C4'-P energy: -65.041
tors. eta vs tors. theta energy: -110.291
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: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -1233.333990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1233.333990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1233.333990 (E_RNA)
where:
Base-Base interactions energy: -826.704
where: short stacking energy: -351.786
Base-Backbone interact. energy: -2.199
local terms energy: -404.431123
where:
bonds (distance) C4'-P energy: -91.376
bonds (distance) P-C4' energy: -80.732
flat angles C4'-P-C4' energy: -90.062
flat angles P-C4'-P energy: -58.071
tors. eta vs tors. theta energy: -84.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -1075.421441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1075.421441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1075.421441 (E_RNA)
where:
Base-Base interactions energy: -709.266
where: short stacking energy: -313.569
Base-Backbone interact. energy: -2.122
local terms energy: -364.033333
where:
bonds (distance) C4'-P energy: -86.941
bonds (distance) P-C4' energy: -69.388
flat angles C4'-P-C4' energy: -86.152
flat angles P-C4'-P energy: -46.691
tors. eta vs tors. theta energy: -74.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -784.663547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -784.663547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -784.663547 (E_RNA)
where:
Base-Base interactions energy: -470.358
where: short stacking energy: -205.501
Base-Backbone interact. energy: -4.256
local terms energy: -310.049336
where:
bonds (distance) C4'-P energy: -83.163
bonds (distance) P-C4' energy: -73.430
flat angles C4'-P-C4' energy: -82.602
flat angles P-C4'-P energy: -48.649
tors. eta vs tors. theta energy: -22.207
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: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -1970.832771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.832771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.832771 (E_RNA)
where:
Base-Base interactions energy: -1421.894
where: short stacking energy: -587.498
Base-Backbone interact. energy: 1.182
local terms energy: -550.120555
where:
bonds (distance) C4'-P energy: -98.805
bonds (distance) P-C4' energy: -99.127
flat angles C4'-P-C4' energy: -118.444
flat angles P-C4'-P energy: -70.865
tors. eta vs tors. theta energy: -162.879
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: 1
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -1862.632956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1862.632956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1862.632956 (E_RNA)
where:
Base-Base interactions energy: -1315.771
where: short stacking energy: -523.728
Base-Backbone interact. energy: -0.802
local terms energy: -546.059654
where:
bonds (distance) C4'-P energy: -102.126
bonds (distance) P-C4' energy: -101.931
flat angles C4'-P-C4' energy: -111.714
flat angles P-C4'-P energy: -79.885
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: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -1793.387582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.387582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.387582 (E_RNA)
where:
Base-Base interactions energy: -1259.049
where: short stacking energy: -533.579
Base-Backbone interact. energy: 0.701
local terms energy: -535.039150
where:
bonds (distance) C4'-P energy: -94.877
bonds (distance) P-C4' energy: -96.941
flat angles C4'-P-C4' energy: -116.668
flat angles P-C4'-P energy: -76.714
tors. eta vs tors. theta energy: -149.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -1679.096019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1679.096019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1679.096019 (E_RNA)
where:
Base-Base interactions energy: -1187.390
where: short stacking energy: -500.998
Base-Backbone interact. energy: -0.992
local terms energy: -490.713442
where:
bonds (distance) C4'-P energy: -86.234
bonds (distance) P-C4' energy: -91.748
flat angles C4'-P-C4' energy: -114.077
flat angles P-C4'-P energy: -69.172
tors. eta vs tors. theta energy: -129.481
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: 468
Temperature: 1.100000
Total energy: -1623.092038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1623.092038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1623.092038 (E_RNA)
where:
Base-Base interactions energy: -1148.958
where: short stacking energy: -462.109
Base-Backbone interact. energy: 0.069
local terms energy: -474.203815
where:
bonds (distance) C4'-P energy: -83.521
bonds (distance) P-C4' energy: -102.149
flat angles C4'-P-C4' energy: -101.586
flat angles P-C4'-P energy: -72.978
tors. eta vs tors. theta energy: -113.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -1469.288889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1469.288889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1469.288889 (E_RNA)
where:
Base-Base interactions energy: -1014.622
where: short stacking energy: -430.756
Base-Backbone interact. energy: -2.503
local terms energy: -452.163818
where:
bonds (distance) C4'-P energy: -82.002
bonds (distance) P-C4' energy: -92.267
flat angles C4'-P-C4' energy: -110.610
flat angles P-C4'-P energy: -55.123
tors. eta vs tors. theta energy: -112.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -1434.869583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1434.869583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1434.869583 (E_RNA)
where:
Base-Base interactions energy: -986.307
where: short stacking energy: -391.719
Base-Backbone interact. energy: 1.727
local terms energy: -450.289987
where:
bonds (distance) C4'-P energy: -92.484
bonds (distance) P-C4' energy: -101.435
flat angles C4'-P-C4' energy: -99.145
flat angles P-C4'-P energy: -62.432
tors. eta vs tors. theta energy: -94.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -1278.078311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1278.078311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1278.078311 (E_RNA)
where:
Base-Base interactions energy: -868.015
where: short stacking energy: -364.306
Base-Backbone interact. energy: 0.665
local terms energy: -410.728439
where:
bonds (distance) C4'-P energy: -91.790
bonds (distance) P-C4' energy: -82.668
flat angles C4'-P-C4' energy: -98.227
flat angles P-C4'-P energy: -59.191
tors. eta vs tors. theta energy: -78.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -1059.229892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1059.229892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1059.229892 (E_RNA)
where:
Base-Base interactions energy: -700.397
where: short stacking energy: -306.735
Base-Backbone interact. energy: 0.360
local terms energy: -359.192068
where:
bonds (distance) C4'-P energy: -88.325
bonds (distance) P-C4' energy: -83.762
flat angles C4'-P-C4' energy: -91.071
flat angles P-C4'-P energy: -53.943
tors. eta vs tors. theta energy: -42.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -778.721648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -778.721648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -778.721648 (E_RNA)
where:
Base-Base interactions energy: -481.154
where: short stacking energy: -206.198
Base-Backbone interact. energy: -3.034
local terms energy: -294.533633
where:
bonds (distance) C4'-P energy: -83.302
bonds (distance) P-C4' energy: -77.761
flat angles C4'-P-C4' energy: -83.438
flat angles P-C4'-P energy: -52.011
tors. eta vs tors. theta energy: 1.978
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: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -1991.360250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1991.360250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1991.360250 (E_RNA)
where:
Base-Base interactions energy: -1423.760
where: short stacking energy: -560.849
Base-Backbone interact. energy: -4.323
local terms energy: -563.277468
where:
bonds (distance) C4'-P energy: -95.806
bonds (distance) P-C4' energy: -108.569
flat angles C4'-P-C4' energy: -124.569
flat angles P-C4'-P energy: -77.000
tors. eta vs tors. theta energy: -157.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -1888.484821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.484821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.484821 (E_RNA)
where:
Base-Base interactions energy: -1376.621
where: short stacking energy: -541.009
Base-Backbone interact. energy: -2.519
local terms energy: -509.344819
where:
bonds (distance) C4'-P energy: -86.774
bonds (distance) P-C4' energy: -94.320
flat angles C4'-P-C4' energy: -112.145
flat angles P-C4'-P energy: -79.889
tors. eta vs tors. theta energy: -136.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -1791.400214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.400214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.400214 (E_RNA)
where:
Base-Base interactions energy: -1227.710
where: short stacking energy: -502.877
Base-Backbone interact. energy: -0.939
local terms energy: -562.750507
where:
bonds (distance) C4'-P energy: -98.917
bonds (distance) P-C4' energy: -107.342
flat angles C4'-P-C4' energy: -121.374
flat angles P-C4'-P energy: -86.661
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: 4, replica: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -1716.105094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1716.105094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1716.105094 (E_RNA)
where:
Base-Base interactions energy: -1250.624
where: short stacking energy: -502.676
Base-Backbone interact. energy: -0.232
local terms energy: -465.248623
where:
bonds (distance) C4'-P energy: -76.622
bonds (distance) P-C4' energy: -89.360
flat angles C4'-P-C4' energy: -102.476
flat angles P-C4'-P energy: -66.209
tors. eta vs tors. theta energy: -130.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -1621.031158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.031158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.031158 (E_RNA)
where:
Base-Base interactions energy: -1147.471
where: short stacking energy: -466.770
Base-Backbone interact. energy: -1.459
local terms energy: -472.101633
where:
bonds (distance) C4'-P energy: -80.387
bonds (distance) P-C4' energy: -95.320
flat angles C4'-P-C4' energy: -95.035
flat angles P-C4'-P energy: -67.254
tors. eta vs tors. theta energy: -134.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -1536.412570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.412570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.412570 (E_RNA)
where:
Base-Base interactions energy: -1050.211
where: short stacking energy: -466.338
Base-Backbone interact. energy: -0.016
local terms energy: -486.186326
where:
bonds (distance) C4'-P energy: -88.512
bonds (distance) P-C4' energy: -95.737
flat angles C4'-P-C4' energy: -109.513
flat angles P-C4'-P energy: -75.126
tors. eta vs tors. theta energy: -117.298
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: 469
Temperature: 1.200000
Total energy: -1433.427433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1433.427433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1433.427433 (E_RNA)
where:
Base-Base interactions energy: -992.777
where: short stacking energy: -418.495
Base-Backbone interact. energy: 2.532
local terms energy: -443.182683
where:
bonds (distance) C4'-P energy: -74.262
bonds (distance) P-C4' energy: -94.334
flat angles C4'-P-C4' energy: -94.373
flat angles P-C4'-P energy: -74.827
tors. eta vs tors. theta energy: -105.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -1244.389116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1244.389116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1244.389116 (E_RNA)
where:
Base-Base interactions energy: -856.918
where: short stacking energy: -379.678
Base-Backbone interact. energy: -3.302
local terms energy: -384.168515
where:
bonds (distance) C4'-P energy: -77.124
bonds (distance) P-C4' energy: -68.353
flat angles C4'-P-C4' energy: -93.540
flat angles P-C4'-P energy: -54.747
tors. eta vs tors. theta energy: -90.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -1049.165428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.165428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.165428 (E_RNA)
where:
Base-Base interactions energy: -680.787
where: short stacking energy: -280.336
Base-Backbone interact. energy: -2.497
local terms energy: -365.882042
where:
bonds (distance) C4'-P energy: -76.466
bonds (distance) P-C4' energy: -82.394
flat angles C4'-P-C4' energy: -98.280
flat angles P-C4'-P energy: -57.515
tors. eta vs tors. theta energy: -51.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -766.559326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -766.559326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -766.559326 (E_RNA)
where:
Base-Base interactions energy: -451.598
where: short stacking energy: -221.467
Base-Backbone interact. energy: 3.463
local terms energy: -318.423918
where:
bonds (distance) C4'-P energy: -87.507
bonds (distance) P-C4' energy: -91.077
flat angles C4'-P-C4' energy: -77.854
flat angles P-C4'-P energy: -43.190
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -1977.225698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.225698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.225698 (E_RNA)
where:
Base-Base interactions energy: -1398.444
where: short stacking energy: -553.383
Base-Backbone interact. energy: -1.417
local terms energy: -577.364991
where:
bonds (distance) C4'-P energy: -94.995
bonds (distance) P-C4' energy: -110.036
flat angles C4'-P-C4' energy: -124.297
flat angles P-C4'-P energy: -86.237
tors. eta vs tors. theta energy: -161.800
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: 470
Temperature: 0.950000
Total energy: -1896.089920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.089920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.089920 (E_RNA)
where:
Base-Base interactions energy: -1384.401
where: short stacking energy: -542.336
Base-Backbone interact. energy: 8.628
local terms energy: -520.317112
where:
bonds (distance) C4'-P energy: -88.143
bonds (distance) P-C4' energy: -86.268
flat angles C4'-P-C4' energy: -126.039
flat angles P-C4'-P energy: -77.773
tors. eta vs tors. theta energy: -142.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -1818.532346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1818.532346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1818.532346 (E_RNA)
where:
Base-Base interactions energy: -1267.255
where: short stacking energy: -537.948
Base-Backbone interact. energy: -0.829
local terms energy: -550.448671
where:
bonds (distance) C4'-P energy: -102.940
bonds (distance) P-C4' energy: -95.726
flat angles C4'-P-C4' energy: -120.581
flat angles P-C4'-P energy: -64.047
tors. eta vs tors. theta energy: -167.155
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: 3
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -1703.096544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1703.096544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1703.096544 (E_RNA)
where:
Base-Base interactions energy: -1204.306
where: short stacking energy: -497.483
Base-Backbone interact. energy: 6.859
local terms energy: -505.650186
where:
bonds (distance) C4'-P energy: -92.244
bonds (distance) P-C4' energy: -102.758
flat angles C4'-P-C4' energy: -105.825
flat angles P-C4'-P energy: -74.938
tors. eta vs tors. theta energy: -129.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -1647.367761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1647.367761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1647.367761 (E_RNA)
where:
Base-Base interactions energy: -1167.522
where: short stacking energy: -465.866
Base-Backbone interact. energy: -0.564
local terms energy: -479.282512
where:
bonds (distance) C4'-P energy: -78.728
bonds (distance) P-C4' energy: -93.748
flat angles C4'-P-C4' energy: -99.121
flat angles P-C4'-P energy: -82.297
tors. eta vs tors. theta energy: -125.388
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: 6, replica: 9
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -1536.496153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.496153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.496153 (E_RNA)
where:
Base-Base interactions energy: -1060.732
where: short stacking energy: -434.270
Base-Backbone interact. energy: 0.207
local terms energy: -475.970930
where:
bonds (distance) C4'-P energy: -99.552
bonds (distance) P-C4' energy: -91.710
flat angles C4'-P-C4' energy: -103.916
flat angles P-C4'-P energy: -56.100
tors. eta vs tors. theta energy: -124.693
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: 470
Temperature: 1.200000
Total energy: -1440.171185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1440.171185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1440.171185 (E_RNA)
where:
Base-Base interactions energy: -1015.337
where: short stacking energy: -416.784
Base-Backbone interact. energy: -2.064
local terms energy: -422.769864
where:
bonds (distance) C4'-P energy: -87.126
bonds (distance) P-C4' energy: -96.318
flat angles C4'-P-C4' energy: -84.916
flat angles P-C4'-P energy: -53.790
tors. eta vs tors. theta energy: -100.621
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: 8, replica: 6
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -1223.874752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1223.874752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1223.874752 (E_RNA)
where:
Base-Base interactions energy: -828.345
where: short stacking energy: -349.966
Base-Backbone interact. energy: -1.170
local terms energy: -394.358888
where:
bonds (distance) C4'-P energy: -68.583
bonds (distance) P-C4' energy: -88.332
flat angles C4'-P-C4' energy: -87.799
flat angles P-C4'-P energy: -66.050
tors. eta vs tors. theta energy: -83.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -1061.820100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1061.820100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1061.820100 (E_RNA)
where:
Base-Base interactions energy: -708.719
where: short stacking energy: -302.807
Base-Backbone interact. energy: -1.158
local terms energy: -351.942829
where:
bonds (distance) C4'-P energy: -76.542
bonds (distance) P-C4' energy: -87.741
flat angles C4'-P-C4' energy: -91.364
flat angles P-C4'-P energy: -42.846
tors. eta vs tors. theta energy: -53.450
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: 10, replica: 10
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -791.941580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -791.941580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -791.941580 (E_RNA)
where:
Base-Base interactions energy: -483.340
where: short stacking energy: -215.787
Base-Backbone interact. energy: 1.194
local terms energy: -309.795356
where:
bonds (distance) C4'-P energy: -91.126
bonds (distance) P-C4' energy: -96.010
flat angles C4'-P-C4' energy: -85.398
flat angles P-C4'-P energy: -33.820
tors. eta vs tors. theta energy: -3.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -1977.414795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.414795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.414795 (E_RNA)
where:
Base-Base interactions energy: -1424.803
where: short stacking energy: -574.492
Base-Backbone interact. energy: -1.755
local terms energy: -550.857690
where:
bonds (distance) C4'-P energy: -89.272
bonds (distance) P-C4' energy: -109.766
flat angles C4'-P-C4' energy: -122.495
flat angles P-C4'-P energy: -73.802
tors. eta vs tors. theta energy: -155.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -1903.361432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1903.361432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1903.361432 (E_RNA)
where:
Base-Base interactions energy: -1385.028
where: short stacking energy: -544.204
Base-Backbone interact. energy: 1.350
local terms energy: -519.683268
where:
bonds (distance) C4'-P energy: -104.242
bonds (distance) P-C4' energy: -91.416
flat angles C4'-P-C4' energy: -113.029
flat angles P-C4'-P energy: -63.944
tors. eta vs tors. theta energy: -147.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -1781.318973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1781.318973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1781.318973 (E_RNA)
where:
Base-Base interactions energy: -1247.391
where: short stacking energy: -514.012
Base-Backbone interact. energy: -1.024
local terms energy: -532.904219
where:
bonds (distance) C4'-P energy: -101.523
bonds (distance) P-C4' energy: -93.776
flat angles C4'-P-C4' energy: -118.483
flat angles P-C4'-P energy: -73.262
tors. eta vs tors. theta energy: -145.860
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: 471
Temperature: 1.050000
Total energy: -1704.969445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1704.969445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1704.969445 (E_RNA)
where:
Base-Base interactions energy: -1207.580
where: short stacking energy: -494.276
Base-Backbone interact. energy: 1.702
local terms energy: -499.091527
where:
bonds (distance) C4'-P energy: -89.090
bonds (distance) P-C4' energy: -93.485
flat angles C4'-P-C4' energy: -111.846
flat angles P-C4'-P energy: -74.295
tors. eta vs tors. theta energy: -130.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -1621.709998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1621.709998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1621.709998 (E_RNA)
where:
Base-Base interactions energy: -1117.591
where: short stacking energy: -453.139
Base-Backbone interact. energy: 2.313
local terms energy: -506.431872
where:
bonds (distance) C4'-P energy: -106.629
bonds (distance) P-C4' energy: -94.141
flat angles C4'-P-C4' energy: -113.818
flat angles P-C4'-P energy: -74.138
tors. eta vs tors. theta energy: -117.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -1530.012345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.012345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.012345 (E_RNA)
where:
Base-Base interactions energy: -1078.175
where: short stacking energy: -447.467
Base-Backbone interact. energy: -1.966
local terms energy: -449.871236
where:
bonds (distance) C4'-P energy: -87.641
bonds (distance) P-C4' energy: -88.691
flat angles C4'-P-C4' energy: -94.578
flat angles P-C4'-P energy: -57.600
tors. eta vs tors. theta energy: -121.361
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: 7
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -1457.094443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1457.094443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1457.094443 (E_RNA)
where:
Base-Base interactions energy: -1025.836
where: short stacking energy: -417.497
Base-Backbone interact. energy: 0.872
local terms energy: -432.129799
where:
bonds (distance) C4'-P energy: -72.080
bonds (distance) P-C4' energy: -89.670
flat angles C4'-P-C4' energy: -99.232
flat angles P-C4'-P energy: -73.945
tors. eta vs tors. theta energy: -97.203
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: 6
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -1225.085513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1225.085513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1225.085513 (E_RNA)
where:
Base-Base interactions energy: -815.892
where: short stacking energy: -333.437
Base-Backbone interact. energy: -3.028
local terms energy: -406.165636
where:
bonds (distance) C4'-P energy: -99.112
bonds (distance) P-C4' energy: -82.804
flat angles C4'-P-C4' energy: -89.908
flat angles P-C4'-P energy: -52.492
tors. eta vs tors. theta energy: -81.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -1080.163639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1080.163639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1080.163639 (E_RNA)
where:
Base-Base interactions energy: -701.796
where: short stacking energy: -304.396
Base-Backbone interact. energy: 2.818
local terms energy: -381.185488
where:
bonds (distance) C4'-P energy: -86.474
bonds (distance) P-C4' energy: -102.487
flat angles C4'-P-C4' energy: -80.923
flat angles P-C4'-P energy: -57.437
tors. eta vs tors. theta energy: -53.865
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: 10, replica: 10
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -843.292151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -843.292151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -843.292151 (E_RNA)
where:
Base-Base interactions energy: -519.764
where: short stacking energy: -260.763
Base-Backbone interact. energy: -1.987
local terms energy: -321.541272
where:
bonds (distance) C4'-P energy: -69.722
bonds (distance) P-C4' energy: -83.608
flat angles C4'-P-C4' energy: -86.951
flat angles P-C4'-P energy: -45.319
tors. eta vs tors. theta energy: -35.941
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: 472
Temperature: 0.900000
Total energy: -1989.007359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.007359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.007359 (E_RNA)
where:
Base-Base interactions energy: -1416.653
where: short stacking energy: -556.085
Base-Backbone interact. energy: -3.696
local terms energy: -568.658373
where:
bonds (distance) C4'-P energy: -96.947
bonds (distance) P-C4' energy: -108.474
flat angles C4'-P-C4' energy: -122.918
flat angles P-C4'-P energy: -80.426
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: 2, replica: 1
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -1900.955029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1900.955029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1900.955029 (E_RNA)
where:
Base-Base interactions energy: -1362.593
where: short stacking energy: -529.315
Base-Backbone interact. energy: -3.391
local terms energy: -534.971416
where:
bonds (distance) C4'-P energy: -100.840
bonds (distance) P-C4' energy: -93.672
flat angles C4'-P-C4' energy: -111.971
flat angles P-C4'-P energy: -80.209
tors. eta vs tors. theta energy: -148.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -1771.026033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1771.026033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1771.026033 (E_RNA)
where:
Base-Base interactions energy: -1244.240
where: short stacking energy: -515.729
Base-Backbone interact. energy: 1.758
local terms energy: -528.544794
where:
bonds (distance) C4'-P energy: -93.779
bonds (distance) P-C4' energy: -99.573
flat angles C4'-P-C4' energy: -111.934
flat angles P-C4'-P energy: -82.393
tors. eta vs tors. theta energy: -140.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -1689.128711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1689.128711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1689.128711 (E_RNA)
where:
Base-Base interactions energy: -1186.762
where: short stacking energy: -487.975
Base-Backbone interact. energy: -0.084
local terms energy: -502.283069
where:
bonds (distance) C4'-P energy: -91.212
bonds (distance) P-C4' energy: -92.551
flat angles C4'-P-C4' energy: -110.763
flat angles P-C4'-P energy: -77.984
tors. eta vs tors. theta energy: -129.773
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: 472
Temperature: 1.100000
Total energy: -1629.283907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1629.283907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1629.283907 (E_RNA)
where:
Base-Base interactions energy: -1150.066
where: short stacking energy: -493.570
Base-Backbone interact. energy: 2.074
local terms energy: -481.291936
where:
bonds (distance) C4'-P energy: -90.340
bonds (distance) P-C4' energy: -95.138
flat angles C4'-P-C4' energy: -102.539
flat angles P-C4'-P energy: -63.845
tors. eta vs tors. theta energy: -129.431
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: 6, replica: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -1571.167461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1571.167461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1571.167461 (E_RNA)
where:
Base-Base interactions energy: -1068.306
where: short stacking energy: -464.528
Base-Backbone interact. energy: 1.810
local terms energy: -504.672422
where:
bonds (distance) C4'-P energy: -88.680
bonds (distance) P-C4' energy: -95.507
flat angles C4'-P-C4' energy: -125.738
flat angles P-C4'-P energy: -71.477
tors. eta vs tors. theta energy: -123.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -1411.792390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1411.792390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1411.792390 (E_RNA)
where:
Base-Base interactions energy: -1012.964
where: short stacking energy: -426.262
Base-Backbone interact. energy: 4.821
local terms energy: -403.648669
where:
bonds (distance) C4'-P energy: -80.523
bonds (distance) P-C4' energy: -74.864
flat angles C4'-P-C4' energy: -103.799
flat angles P-C4'-P energy: -53.572
tors. eta vs tors. theta energy: -90.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -1217.455762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.455762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.455762 (E_RNA)
where:
Base-Base interactions energy: -808.517
where: short stacking energy: -349.160
Base-Backbone interact. energy: 1.695
local terms energy: -410.634212
where:
bonds (distance) C4'-P energy: -80.167
bonds (distance) P-C4' energy: -100.831
flat angles C4'-P-C4' energy: -84.523
flat angles P-C4'-P energy: -67.773
tors. eta vs tors. theta energy: -77.341
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: 5
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -1041.100413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1041.100413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1041.100413 (E_RNA)
where:
Base-Base interactions energy: -684.077
where: short stacking energy: -291.684
Base-Backbone interact. energy: -1.572
local terms energy: -355.450520
where:
bonds (distance) C4'-P energy: -81.138
bonds (distance) P-C4' energy: -84.618
flat angles C4'-P-C4' energy: -96.964
flat angles P-C4'-P energy: -42.680
tors. eta vs tors. theta energy: -50.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -874.718087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -874.718087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -874.718087 (E_RNA)
where:
Base-Base interactions energy: -554.091
where: short stacking energy: -236.297
Base-Backbone interact. energy: -1.954
local terms energy: -318.673031
where:
bonds (distance) C4'-P energy: -88.663
bonds (distance) P-C4' energy: -87.306
flat angles C4'-P-C4' energy: -84.018
flat angles P-C4'-P energy: -32.922
tors. eta vs tors. theta energy: -25.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -1997.523008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1997.523008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1997.523008 (E_RNA)
where:
Base-Base interactions energy: -1420.472
where: short stacking energy: -559.682
Base-Backbone interact. energy: -0.490
local terms energy: -576.560713
where:
bonds (distance) C4'-P energy: -106.321
bonds (distance) P-C4' energy: -105.723
flat angles C4'-P-C4' energy: -116.659
flat angles P-C4'-P energy: -86.209
tors. eta vs tors. theta energy: -161.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -1880.093843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.093843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.093843 (E_RNA)
where:
Base-Base interactions energy: -1332.268
where: short stacking energy: -521.412
Base-Backbone interact. energy: -2.534
local terms energy: -545.292328
where:
bonds (distance) C4'-P energy: -104.067
bonds (distance) P-C4' energy: -100.678
flat angles C4'-P-C4' energy: -116.677
flat angles P-C4'-P energy: -84.660
tors. eta vs tors. theta energy: -139.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -1782.340545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1782.340545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1782.340545 (E_RNA)
where:
Base-Base interactions energy: -1270.321
where: short stacking energy: -522.235
Base-Backbone interact. energy: -1.610
local terms energy: -510.409426
where:
bonds (distance) C4'-P energy: -65.928
bonds (distance) P-C4' energy: -96.665
flat angles C4'-P-C4' energy: -118.345
flat angles P-C4'-P energy: -84.165
tors. eta vs tors. theta energy: -145.307
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: 4, replica: 3
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -1765.911979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1765.911979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1765.911979 (E_RNA)
where:
Base-Base interactions energy: -1241.278
where: short stacking energy: -506.363
Base-Backbone interact. energy: -1.080
local terms energy: -523.553784
where:
bonds (distance) C4'-P energy: -87.397
bonds (distance) P-C4' energy: -101.972
flat angles C4'-P-C4' energy: -109.671
flat angles P-C4'-P energy: -80.773
tors. eta vs tors. theta energy: -143.740
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: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -1648.704372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.704372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.704372 (E_RNA)
where:
Base-Base interactions energy: -1151.683
where: short stacking energy: -462.559
Base-Backbone interact. energy: -5.299
local terms energy: -491.722991
where:
bonds (distance) C4'-P energy: -87.013
bonds (distance) P-C4' energy: -93.647
flat angles C4'-P-C4' energy: -110.585
flat angles P-C4'-P energy: -75.469
tors. eta vs tors. theta energy: -125.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -1583.828664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1583.828664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1583.828664 (E_RNA)
where:
Base-Base interactions energy: -1087.873
where: short stacking energy: -480.276
Base-Backbone interact. energy: -2.427
local terms energy: -493.528610
where:
bonds (distance) C4'-P energy: -96.903
bonds (distance) P-C4' energy: -92.304
flat angles C4'-P-C4' energy: -97.491
flat angles P-C4'-P energy: -81.624
tors. eta vs tors. theta energy: -125.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -1427.110437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1427.110437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1427.110437 (E_RNA)
where:
Base-Base interactions energy: -1017.831
where: short stacking energy: -426.885
Base-Backbone interact. energy: 0.367
local terms energy: -409.646649
where:
bonds (distance) C4'-P energy: -68.887
bonds (distance) P-C4' energy: -89.745
flat angles C4'-P-C4' energy: -95.387
flat angles P-C4'-P energy: -52.302
tors. eta vs tors. theta energy: -103.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -1217.287422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1217.287422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1217.287422 (E_RNA)
where:
Base-Base interactions energy: -830.426
where: short stacking energy: -365.922
Base-Backbone interact. energy: -1.518
local terms energy: -385.343438
where:
bonds (distance) C4'-P energy: -82.066
bonds (distance) P-C4' energy: -74.715
flat angles C4'-P-C4' energy: -89.007
flat angles P-C4'-P energy: -57.459
tors. eta vs tors. theta energy: -82.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -1100.012288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1100.012288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1100.012288 (E_RNA)
where:
Base-Base interactions energy: -751.850
where: short stacking energy: -315.284
Base-Backbone interact. energy: 0.589
local terms energy: -348.751491
where:
bonds (distance) C4'-P energy: -56.321
bonds (distance) P-C4' energy: -65.963
flat angles C4'-P-C4' energy: -92.142
flat angles P-C4'-P energy: -55.378
tors. eta vs tors. theta energy: -78.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -892.169292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.169292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.169292 (E_RNA)
where:
Base-Base interactions energy: -556.034
where: short stacking energy: -249.404
Base-Backbone interact. energy: 2.068
local terms energy: -338.203428
where:
bonds (distance) C4'-P energy: -83.152
bonds (distance) P-C4' energy: -91.059
flat angles C4'-P-C4' energy: -75.729
flat angles P-C4'-P energy: -52.669
tors. eta vs tors. theta energy: -35.594
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: 1, replica: 2
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -1989.219145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1989.219145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1989.219145 (E_RNA)
where:
Base-Base interactions energy: -1414.257
where: short stacking energy: -574.279
Base-Backbone interact. energy: -3.135
local terms energy: -571.826489
where:
bonds (distance) C4'-P energy: -105.717
bonds (distance) P-C4' energy: -93.780
flat angles C4'-P-C4' energy: -119.696
flat angles P-C4'-P energy: -94.180
tors. eta vs tors. theta energy: -158.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -1892.674244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1892.674244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1892.674244 (E_RNA)
where:
Base-Base interactions energy: -1372.445
where: short stacking energy: -538.928
Base-Backbone interact. energy: 5.515
local terms energy: -525.745097
where:
bonds (distance) C4'-P energy: -93.464
bonds (distance) P-C4' energy: -113.463
flat angles C4'-P-C4' energy: -106.666
flat angles P-C4'-P energy: -68.270
tors. eta vs tors. theta energy: -143.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -1791.900544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1791.900544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1791.900544 (E_RNA)
where:
Base-Base interactions energy: -1264.673
where: short stacking energy: -505.780
Base-Backbone interact. energy: 0.319
local terms energy: -527.546499
where:
bonds (distance) C4'-P energy: -97.517
bonds (distance) P-C4' energy: -105.543
flat angles C4'-P-C4' energy: -115.305
flat angles P-C4'-P energy: -68.052
tors. eta vs tors. theta energy: -141.130
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: 3
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -1724.368990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.368990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.368990 (E_RNA)
where:
Base-Base interactions energy: -1218.970
where: short stacking energy: -494.590
Base-Backbone interact. energy: -3.504
local terms energy: -501.895006
where:
bonds (distance) C4'-P energy: -80.355
bonds (distance) P-C4' energy: -104.246
flat angles C4'-P-C4' energy: -106.367
flat angles P-C4'-P energy: -65.557
tors. eta vs tors. theta energy: -145.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -1639.812097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1639.812097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1639.812097 (E_RNA)
where:
Base-Base interactions energy: -1148.800
where: short stacking energy: -442.759
Base-Backbone interact. energy: -2.922
local terms energy: -488.089901
where:
bonds (distance) C4'-P energy: -95.260
bonds (distance) P-C4' energy: -98.012
flat angles C4'-P-C4' energy: -104.544
flat angles P-C4'-P energy: -71.527
tors. eta vs tors. theta energy: -118.747
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: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -1498.125081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1498.125081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1498.125081 (E_RNA)
where:
Base-Base interactions energy: -1048.445
where: short stacking energy: -452.340
Base-Backbone interact. energy: 2.901
local terms energy: -452.581211
where:
bonds (distance) C4'-P energy: -84.280
bonds (distance) P-C4' energy: -91.681
flat angles C4'-P-C4' energy: -100.761
flat angles P-C4'-P energy: -68.720
tors. eta vs tors. theta energy: -107.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -1446.177629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1446.177629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1446.177629 (E_RNA)
where:
Base-Base interactions energy: -999.605
where: short stacking energy: -405.660
Base-Backbone interact. energy: 2.658
local terms energy: -449.230798
where:
bonds (distance) C4'-P energy: -100.912
bonds (distance) P-C4' energy: -96.892
flat angles C4'-P-C4' energy: -102.281
flat angles P-C4'-P energy: -51.700
tors. eta vs tors. theta energy: -97.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -1270.163903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1270.163903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1270.163903 (E_RNA)
where:
Base-Base interactions energy: -863.943
where: short stacking energy: -367.058
Base-Backbone interact. energy: -0.857
local terms energy: -405.363617
where:
bonds (distance) C4'-P energy: -76.070
bonds (distance) P-C4' energy: -93.399
flat angles C4'-P-C4' energy: -85.144
flat angles P-C4'-P energy: -58.856
tors. eta vs tors. theta energy: -91.895
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: 9, replica: 5
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -1118.376284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1118.376284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1118.376284 (E_RNA)
where:
Base-Base interactions energy: -740.019
where: short stacking energy: -314.597
Base-Backbone interact. energy: -2.557
local terms energy: -375.800377
where:
bonds (distance) C4'-P energy: -85.194
bonds (distance) P-C4' energy: -70.592
flat angles C4'-P-C4' energy: -77.266
flat angles P-C4'-P energy: -57.769
tors. eta vs tors. theta energy: -84.980
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: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -841.536976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -841.536976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -841.536976 (E_RNA)
where:
Base-Base interactions energy: -516.873
where: short stacking energy: -233.239
Base-Backbone interact. energy: -2.542
local terms energy: -322.122693
where:
bonds (distance) C4'-P energy: -87.586
bonds (distance) P-C4' energy: -78.351
flat angles C4'-P-C4' energy: -76.060
flat angles P-C4'-P energy: -46.954
tors. eta vs tors. theta energy: -33.172
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: 475
Temperature: 0.900000
Total energy: -1993.638636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1993.638636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1993.638636 (E_RNA)
where:
Base-Base interactions energy: -1409.082
where: short stacking energy: -571.491
Base-Backbone interact. energy: -1.015
local terms energy: -583.541624
where:
bonds (distance) C4'-P energy: -105.188
bonds (distance) P-C4' energy: -102.204
flat angles C4'-P-C4' energy: -127.738
flat angles P-C4'-P energy: -82.469
tors. eta vs tors. theta energy: -165.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -1902.592055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1902.592055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1902.592055 (E_RNA)
where:
Base-Base interactions energy: -1362.291
where: short stacking energy: -545.430
Base-Backbone interact. energy: -3.933
local terms energy: -536.368543
where:
bonds (distance) C4'-P energy: -94.195
bonds (distance) P-C4' energy: -97.197
flat angles C4'-P-C4' energy: -113.704
flat angles P-C4'-P energy: -86.330
tors. eta vs tors. theta energy: -144.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -1797.804332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1797.804332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1797.804332 (E_RNA)
where:
Base-Base interactions energy: -1252.253
where: short stacking energy: -508.089
Base-Backbone interact. energy: 0.736
local terms energy: -546.286940
where:
bonds (distance) C4'-P energy: -95.489
bonds (distance) P-C4' energy: -116.762
flat angles C4'-P-C4' energy: -111.590
flat angles P-C4'-P energy: -74.712
tors. eta vs tors. theta energy: -147.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -1706.591869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1706.591869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1706.591869 (E_RNA)
where:
Base-Base interactions energy: -1206.026
where: short stacking energy: -498.221
Base-Backbone interact. energy: -0.742
local terms energy: -499.823334
where:
bonds (distance) C4'-P energy: -99.005
bonds (distance) P-C4' energy: -91.109
flat angles C4'-P-C4' energy: -112.226
flat angles P-C4'-P energy: -69.302
tors. eta vs tors. theta energy: -128.182
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: 5, replica: 4
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -1628.634452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.634452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.634452 (E_RNA)
where:
Base-Base interactions energy: -1155.485
where: short stacking energy: -465.725
Base-Backbone interact. energy: -1.813
local terms energy: -471.336649
where:
bonds (distance) C4'-P energy: -86.466
bonds (distance) P-C4' energy: -97.731
flat angles C4'-P-C4' energy: -101.667
flat angles P-C4'-P energy: -64.309
tors. eta vs tors. theta energy: -121.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -1501.915116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1501.915116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1501.915116 (E_RNA)
where:
Base-Base interactions energy: -1055.708
where: short stacking energy: -431.642
Base-Backbone interact. energy: 0.608
local terms energy: -446.815205
where:
bonds (distance) C4'-P energy: -82.455
bonds (distance) P-C4' energy: -91.003
flat angles C4'-P-C4' energy: -103.626
flat angles P-C4'-P energy: -63.698
tors. eta vs tors. theta energy: -106.032
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: 9
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -1458.480524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.480524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.480524 (E_RNA)
where:
Base-Base interactions energy: -1035.345
where: short stacking energy: -441.229
Base-Backbone interact. energy: -0.692
local terms energy: -422.443308
where:
bonds (distance) C4'-P energy: -81.030
bonds (distance) P-C4' energy: -82.885
flat angles C4'-P-C4' energy: -88.603
flat angles P-C4'-P energy: -62.607
tors. eta vs tors. theta energy: -107.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -1215.445208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1215.445208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1215.445208 (E_RNA)
where:
Base-Base interactions energy: -811.174
where: short stacking energy: -351.336
Base-Backbone interact. energy: 0.680
local terms energy: -404.951548
where:
bonds (distance) C4'-P energy: -94.980
bonds (distance) P-C4' energy: -82.950
flat angles C4'-P-C4' energy: -100.807
flat angles P-C4'-P energy: -53.088
tors. eta vs tors. theta energy: -73.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -1039.896078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1039.896078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1039.896078 (E_RNA)
where:
Base-Base interactions energy: -677.362
where: short stacking energy: -293.306
Base-Backbone interact. energy: -1.677
local terms energy: -360.857262
where:
bonds (distance) C4'-P energy: -84.222
bonds (distance) P-C4' energy: -96.256
flat angles C4'-P-C4' energy: -87.162
flat angles P-C4'-P energy: -51.969
tors. eta vs tors. theta energy: -41.248
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: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -854.223140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -854.223140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -854.223140 (E_RNA)
where:
Base-Base interactions energy: -520.944
where: short stacking energy: -240.839
Base-Backbone interact. energy: -0.803
local terms energy: -332.476621
where:
bonds (distance) C4'-P energy: -79.959
bonds (distance) P-C4' energy: -92.157
flat angles C4'-P-C4' energy: -75.572
flat angles P-C4'-P energy: -60.728
tors. eta vs tors. theta energy: -24.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -1995.147108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.147108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.147108 (E_RNA)
where:
Base-Base interactions energy: -1410.214
where: short stacking energy: -546.212
Base-Backbone interact. energy: -4.469
local terms energy: -580.463841
where:
bonds (distance) C4'-P energy: -100.712
bonds (distance) P-C4' energy: -116.187
flat angles C4'-P-C4' energy: -121.313
flat angles P-C4'-P energy: -79.014
tors. eta vs tors. theta energy: -163.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -1869.051502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1869.051502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1869.051502 (E_RNA)
where:
Base-Base interactions energy: -1322.464
where: short stacking energy: -535.201
Base-Backbone interact. energy: 3.412
local terms energy: -549.998715
where:
bonds (distance) C4'-P energy: -100.280
bonds (distance) P-C4' energy: -106.103
flat angles C4'-P-C4' energy: -117.076
flat angles P-C4'-P energy: -81.694
tors. eta vs tors. theta energy: -144.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -1793.540894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1793.540894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1793.540894 (E_RNA)
where:
Base-Base interactions energy: -1236.706
where: short stacking energy: -520.129
Base-Backbone interact. energy: -0.481
local terms energy: -556.354409
where:
bonds (distance) C4'-P energy: -101.385
bonds (distance) P-C4' energy: -95.793
flat angles C4'-P-C4' energy: -122.697
flat angles P-C4'-P energy: -82.959
tors. eta vs tors. theta energy: -153.520
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: 3
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -1736.856116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1736.856116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1736.856116 (E_RNA)
where:
Base-Base interactions energy: -1198.138
where: short stacking energy: -492.209
Base-Backbone interact. energy: 0.785
local terms energy: -539.503563
where:
bonds (distance) C4'-P energy: -103.446
bonds (distance) P-C4' energy: -108.108
flat angles C4'-P-C4' energy: -111.018
flat angles P-C4'-P energy: -70.395
tors. eta vs tors. theta energy: -146.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -1603.815574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1603.815574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1603.815574 (E_RNA)
where:
Base-Base interactions energy: -1109.507
where: short stacking energy: -446.987
Base-Backbone interact. energy: -3.379
local terms energy: -490.928960
where:
bonds (distance) C4'-P energy: -104.841
bonds (distance) P-C4' energy: -99.434
flat angles C4'-P-C4' energy: -106.752
flat angles P-C4'-P energy: -64.093
tors. eta vs tors. theta energy: -115.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -1475.397061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1475.397061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1475.397061 (E_RNA)
where:
Base-Base interactions energy: -1033.991
where: short stacking energy: -425.887
Base-Backbone interact. energy: -2.852
local terms energy: -438.554547
where:
bonds (distance) C4'-P energy: -81.011
bonds (distance) P-C4' energy: -100.996
flat angles C4'-P-C4' energy: -91.171
flat angles P-C4'-P energy: -67.304
tors. eta vs tors. theta energy: -98.074
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: 9
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -1456.153164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1456.153164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1456.153164 (E_RNA)
where:
Base-Base interactions energy: -1001.087
where: short stacking energy: -420.965
Base-Backbone interact. energy: -1.756
local terms energy: -453.309789
where:
bonds (distance) C4'-P energy: -88.742
bonds (distance) P-C4' energy: -81.492
flat angles C4'-P-C4' energy: -100.143
flat angles P-C4'-P energy: -81.477
tors. eta vs tors. theta energy: -101.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -1219.247713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1219.247713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1219.247713 (E_RNA)
where:
Base-Base interactions energy: -786.009
where: short stacking energy: -338.613
Base-Backbone interact. energy: 0.570
local terms energy: -433.807834
where:
bonds (distance) C4'-P energy: -92.298
bonds (distance) P-C4' energy: -103.818
flat angles C4'-P-C4' energy: -97.086
flat angles P-C4'-P energy: -55.664
tors. eta vs tors. theta energy: -84.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -1020.263307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1020.263307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1020.263307 (E_RNA)
where:
Base-Base interactions energy: -670.487
where: short stacking energy: -284.752
Base-Backbone interact. energy: 3.227
local terms energy: -353.003253
where:
bonds (distance) C4'-P energy: -76.836
bonds (distance) P-C4' energy: -99.506
flat angles C4'-P-C4' energy: -79.219
flat angles P-C4'-P energy: -52.176
tors. eta vs tors. theta energy: -45.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -814.656520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -814.656520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -814.656520 (E_RNA)
where:
Base-Base interactions energy: -489.995
where: short stacking energy: -218.844
Base-Backbone interact. energy: -0.080
local terms energy: -324.581465
where:
bonds (distance) C4'-P energy: -75.016
bonds (distance) P-C4' energy: -91.664
flat angles C4'-P-C4' energy: -88.354
flat angles P-C4'-P energy: -49.255
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -1960.069003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1960.069003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1960.069003 (E_RNA)
where:
Base-Base interactions energy: -1401.445
where: short stacking energy: -545.255
Base-Backbone interact. energy: 0.396
local terms energy: -559.020588
where:
bonds (distance) C4'-P energy: -95.614
bonds (distance) P-C4' energy: -109.159
flat angles C4'-P-C4' energy: -115.647
flat angles P-C4'-P energy: -89.473
tors. eta vs tors. theta energy: -149.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -1888.331550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.331550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.331550 (E_RNA)
where:
Base-Base interactions energy: -1344.725
where: short stacking energy: -555.907
Base-Backbone interact. energy: 0.362
local terms energy: -543.968263
where:
bonds (distance) C4'-P energy: -105.185
bonds (distance) P-C4' energy: -99.732
flat angles C4'-P-C4' energy: -107.293
flat angles P-C4'-P energy: -76.669
tors. eta vs tors. theta energy: -155.090
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: 8
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -1828.523762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1828.523762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1828.523762 (E_RNA)
where:
Base-Base interactions energy: -1280.952
where: short stacking energy: -535.198
Base-Backbone interact. energy: -2.410
local terms energy: -545.161879
where:
bonds (distance) C4'-P energy: -98.447
bonds (distance) P-C4' energy: -95.558
flat angles C4'-P-C4' energy: -119.553
flat angles P-C4'-P energy: -84.003
tors. eta vs tors. theta energy: -147.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -1748.458321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1748.458321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1748.458321 (E_RNA)
where:
Base-Base interactions energy: -1245.396
where: short stacking energy: -504.463
Base-Backbone interact. energy: -2.829
local terms energy: -500.233757
where:
bonds (distance) C4'-P energy: -91.378
bonds (distance) P-C4' energy: -95.408
flat angles C4'-P-C4' energy: -118.047
flat angles P-C4'-P energy: -62.024
tors. eta vs tors. theta energy: -133.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -1653.674176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.674176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.674176 (E_RNA)
where:
Base-Base interactions energy: -1168.067
where: short stacking energy: -470.332
Base-Backbone interact. energy: -2.422
local terms energy: -483.185359
where:
bonds (distance) C4'-P energy: -69.880
bonds (distance) P-C4' energy: -93.917
flat angles C4'-P-C4' energy: -119.780
flat angles P-C4'-P energy: -70.157
tors. eta vs tors. theta energy: -129.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -1502.055408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1502.055408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1502.055408 (E_RNA)
where:
Base-Base interactions energy: -1042.552
where: short stacking energy: -439.072
Base-Backbone interact. energy: 2.482
local terms energy: -461.985244
where:
bonds (distance) C4'-P energy: -96.000
bonds (distance) P-C4' energy: -80.592
flat angles C4'-P-C4' energy: -97.110
flat angles P-C4'-P energy: -82.273
tors. eta vs tors. theta energy: -106.010
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: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -1447.702924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.702924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.702924 (E_RNA)
where:
Base-Base interactions energy: -1042.089
where: short stacking energy: -420.193
Base-Backbone interact. energy: -1.235
local terms energy: -404.379205
where:
bonds (distance) C4'-P energy: -70.077
bonds (distance) P-C4' energy: -70.172
flat angles C4'-P-C4' energy: -103.704
flat angles P-C4'-P energy: -60.666
tors. eta vs tors. theta energy: -99.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -1248.382081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1248.382081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1248.382081 (E_RNA)
where:
Base-Base interactions energy: -830.405
where: short stacking energy: -373.214
Base-Backbone interact. energy: 0.483
local terms energy: -418.459802
where:
bonds (distance) C4'-P energy: -82.814
bonds (distance) P-C4' energy: -92.300
flat angles C4'-P-C4' energy: -91.877
flat angles P-C4'-P energy: -59.408
tors. eta vs tors. theta energy: -92.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -1058.314106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1058.314106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1058.314106 (E_RNA)
where:
Base-Base interactions energy: -703.464
where: short stacking energy: -299.666
Base-Backbone interact. energy: -2.378
local terms energy: -352.472933
where:
bonds (distance) C4'-P energy: -76.799
bonds (distance) P-C4' energy: -90.391
flat angles C4'-P-C4' energy: -86.836
flat angles P-C4'-P energy: -53.099
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: 10
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -827.455525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.455525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.455525 (E_RNA)
where:
Base-Base interactions energy: -507.949
where: short stacking energy: -228.186
Base-Backbone interact. energy: -1.826
local terms energy: -317.680905
where:
bonds (distance) C4'-P energy: -73.933
bonds (distance) P-C4' energy: -93.946
flat angles C4'-P-C4' energy: -71.321
flat angles P-C4'-P energy: -46.914
tors. eta vs tors. theta energy: -31.567
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: 478
Temperature: 0.900000
Total energy: -1966.946112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.946112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.946112 (E_RNA)
where:
Base-Base interactions energy: -1394.679
where: short stacking energy: -537.627
Base-Backbone interact. energy: 1.445
local terms energy: -573.712097
where:
bonds (distance) C4'-P energy: -109.385
bonds (distance) P-C4' energy: -100.846
flat angles C4'-P-C4' energy: -117.006
flat angles P-C4'-P energy: -89.506
tors. eta vs tors. theta energy: -156.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -1904.767875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1904.767875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1904.767875 (E_RNA)
where:
Base-Base interactions energy: -1353.192
where: short stacking energy: -540.560
Base-Backbone interact. energy: 7.382
local terms energy: -558.957609
where:
bonds (distance) C4'-P energy: -112.560
bonds (distance) P-C4' energy: -95.044
flat angles C4'-P-C4' energy: -115.762
flat angles P-C4'-P energy: -78.433
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: 3, replica: 8
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -1814.414041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1814.414041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1814.414041 (E_RNA)
where:
Base-Base interactions energy: -1273.503
where: short stacking energy: -535.471
Base-Backbone interact. energy: -0.894
local terms energy: -540.016996
where:
bonds (distance) C4'-P energy: -100.561
bonds (distance) P-C4' energy: -107.386
flat angles C4'-P-C4' energy: -114.189
flat angles P-C4'-P energy: -75.040
tors. eta vs tors. theta energy: -142.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -1761.092931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1761.092931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1761.092931 (E_RNA)
where:
Base-Base interactions energy: -1229.278
where: short stacking energy: -523.436
Base-Backbone interact. energy: -2.716
local terms energy: -529.098389
where:
bonds (distance) C4'-P energy: -91.510
bonds (distance) P-C4' energy: -97.278
flat angles C4'-P-C4' energy: -109.370
flat angles P-C4'-P energy: -82.763
tors. eta vs tors. theta energy: -148.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -1634.729971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1634.729971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1634.729971 (E_RNA)
where:
Base-Base interactions energy: -1140.588
where: short stacking energy: -464.686
Base-Backbone interact. energy: 3.017
local terms energy: -497.159467
where:
bonds (distance) C4'-P energy: -86.609
bonds (distance) P-C4' energy: -92.413
flat angles C4'-P-C4' energy: -106.023
flat angles P-C4'-P energy: -77.613
tors. eta vs tors. theta energy: -134.501
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: 9
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -1534.144866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1534.144866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1534.144866 (E_RNA)
where:
Base-Base interactions energy: -1098.236
where: short stacking energy: -462.957
Base-Backbone interact. energy: 0.251
local terms energy: -436.159174
where:
bonds (distance) C4'-P energy: -72.080
bonds (distance) P-C4' energy: -87.166
flat angles C4'-P-C4' energy: -101.633
flat angles P-C4'-P energy: -57.226
tors. eta vs tors. theta energy: -118.054
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: 7, replica: 7
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -1390.076751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1390.076751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1390.076751 (E_RNA)
where:
Base-Base interactions energy: -985.839
where: short stacking energy: -419.000
Base-Backbone interact. energy: -1.479
local terms energy: -402.758561
where:
bonds (distance) C4'-P energy: -78.322
bonds (distance) P-C4' energy: -73.125
flat angles C4'-P-C4' energy: -93.225
flat angles P-C4'-P energy: -51.586
tors. eta vs tors. theta energy: -106.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -1267.514961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1267.514961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1267.514961 (E_RNA)
where:
Base-Base interactions energy: -849.730
where: short stacking energy: -365.847
Base-Backbone interact. energy: 0.735
local terms energy: -418.520718
where:
bonds (distance) C4'-P energy: -94.108
bonds (distance) P-C4' energy: -86.498
flat angles C4'-P-C4' energy: -96.773
flat angles P-C4'-P energy: -55.267
tors. eta vs tors. theta energy: -85.875
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: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -1049.815063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1049.815063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1049.815063 (E_RNA)
where:
Base-Base interactions energy: -703.270
where: short stacking energy: -319.691
Base-Backbone interact. energy: -1.437
local terms energy: -345.108596
where:
bonds (distance) C4'-P energy: -64.833
bonds (distance) P-C4' energy: -99.101
flat angles C4'-P-C4' energy: -76.554
flat angles P-C4'-P energy: -52.592
tors. eta vs tors. theta energy: -52.028
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: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -799.256524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -799.256524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -799.256524 (E_RNA)
where:
Base-Base interactions energy: -497.051
where: short stacking energy: -215.807
Base-Backbone interact. energy: -1.539
local terms energy: -300.666486
where:
bonds (distance) C4'-P energy: -64.498
bonds (distance) P-C4' energy: -94.002
flat angles C4'-P-C4' energy: -80.686
flat angles P-C4'-P energy: -40.457
tors. eta vs tors. theta energy: -21.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -1995.120846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1995.120846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1995.120846 (E_RNA)
where:
Base-Base interactions energy: -1401.856
where: short stacking energy: -554.555
Base-Backbone interact. energy: -4.291
local terms energy: -588.973935
where:
bonds (distance) C4'-P energy: -101.692
bonds (distance) P-C4' energy: -115.808
flat angles C4'-P-C4' energy: -123.020
flat angles P-C4'-P energy: -89.400
tors. eta vs tors. theta energy: -159.054
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: 8
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -1820.467581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1820.467581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1820.467581 (E_RNA)
where:
Base-Base interactions energy: -1281.333
where: short stacking energy: -557.740
Base-Backbone interact. energy: 0.069
local terms energy: -539.203566
where:
bonds (distance) C4'-P energy: -98.493
bonds (distance) P-C4' energy: -97.735
flat angles C4'-P-C4' energy: -117.675
flat angles P-C4'-P energy: -73.992
tors. eta vs tors. theta energy: -151.308
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: 479
Temperature: 1.000000
Total energy: -1847.254319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1847.254319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1847.254319 (E_RNA)
where:
Base-Base interactions energy: -1313.220
where: short stacking energy: -502.597
Base-Backbone interact. energy: 1.028
local terms energy: -535.062366
where:
bonds (distance) C4'-P energy: -98.373
bonds (distance) P-C4' energy: -100.327
flat angles C4'-P-C4' energy: -113.090
flat angles P-C4'-P energy: -80.932
tors. eta vs tors. theta energy: -142.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -1734.398064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1734.398064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1734.398064 (E_RNA)
where:
Base-Base interactions energy: -1204.173
where: short stacking energy: -480.140
Base-Backbone interact. energy: -4.573
local terms energy: -525.652205
where:
bonds (distance) C4'-P energy: -95.620
bonds (distance) P-C4' energy: -104.804
flat angles C4'-P-C4' energy: -115.225
flat angles P-C4'-P energy: -76.462
tors. eta vs tors. theta energy: -133.542
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: 5, replica: 4
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -1631.720590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.720590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.720590 (E_RNA)
where:
Base-Base interactions energy: -1169.599
where: short stacking energy: -469.650
Base-Backbone interact. energy: -2.883
local terms energy: -459.238272
where:
bonds (distance) C4'-P energy: -64.996
bonds (distance) P-C4' energy: -95.880
flat angles C4'-P-C4' energy: -105.563
flat angles P-C4'-P energy: -68.103
tors. eta vs tors. theta energy: -124.695
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: 9
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -1518.017917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1518.017917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1518.017917 (E_RNA)
where:
Base-Base interactions energy: -1044.424
where: short stacking energy: -443.849
Base-Backbone interact. energy: 0.692
local terms energy: -474.285874
where:
bonds (distance) C4'-P energy: -81.506
bonds (distance) P-C4' energy: -102.729
flat angles C4'-P-C4' energy: -106.271
flat angles P-C4'-P energy: -68.631
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: 7, replica: 7
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -1419.129882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1419.129882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1419.129882 (E_RNA)
where:
Base-Base interactions energy: -985.874
where: short stacking energy: -406.447
Base-Backbone interact. energy: -0.652
local terms energy: -432.604297
where:
bonds (distance) C4'-P energy: -75.277
bonds (distance) P-C4' energy: -106.374
flat angles C4'-P-C4' energy: -96.695
flat angles P-C4'-P energy: -66.596
tors. eta vs tors. theta energy: -87.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -1265.986157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1265.986157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1265.986157 (E_RNA)
where:
Base-Base interactions energy: -827.208
where: short stacking energy: -343.004
Base-Backbone interact. energy: -1.691
local terms energy: -437.086365
where:
bonds (distance) C4'-P energy: -92.176
bonds (distance) P-C4' energy: -88.928
flat angles C4'-P-C4' energy: -102.699
flat angles P-C4'-P energy: -69.535
tors. eta vs tors. theta energy: -83.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -1112.308831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1112.308831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1112.308831 (E_RNA)
where:
Base-Base interactions energy: -755.897
where: short stacking energy: -306.133
Base-Backbone interact. energy: -0.256
local terms energy: -356.156169
where:
bonds (distance) C4'-P energy: -79.507
bonds (distance) P-C4' energy: -86.289
flat angles C4'-P-C4' energy: -93.202
flat angles P-C4'-P energy: -46.193
tors. eta vs tors. theta energy: -50.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -822.974968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -822.974968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -822.974968 (E_RNA)
where:
Base-Base interactions energy: -488.217
where: short stacking energy: -244.833
Base-Backbone interact. energy: -0.394
local terms energy: -334.364166
where:
bonds (distance) C4'-P energy: -87.043
bonds (distance) P-C4' energy: -87.731
flat angles C4'-P-C4' energy: -75.860
flat angles P-C4'-P energy: -48.569
tors. eta vs tors. theta energy: -35.161
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: 480
Temperature: 0.900000
Total energy: -1948.891099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.891099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.891099 (E_RNA)
where:
Base-Base interactions energy: -1372.780
where: short stacking energy: -549.015
Base-Backbone interact. energy: -4.420
local terms energy: -571.691308
where:
bonds (distance) C4'-P energy: -87.619
bonds (distance) P-C4' energy: -101.328
flat angles C4'-P-C4' energy: -126.483
flat angles P-C4'-P energy: -91.470
tors. eta vs tors. theta energy: -164.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -1853.057602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1853.057602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1853.057602 (E_RNA)
where:
Base-Base interactions energy: -1310.676
where: short stacking energy: -562.720
Base-Backbone interact. energy: 3.729
local terms energy: -546.110343
where:
bonds (distance) C4'-P energy: -90.287
bonds (distance) P-C4' energy: -95.054
flat angles C4'-P-C4' energy: -120.888
flat angles P-C4'-P energy: -81.309
tors. eta vs tors. theta energy: -158.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -1838.945366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.945366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.945366 (E_RNA)
where:
Base-Base interactions energy: -1328.310
where: short stacking energy: -530.938
Base-Backbone interact. energy: 9.693
local terms energy: -520.328129
where:
bonds (distance) C4'-P energy: -88.718
bonds (distance) P-C4' energy: -86.702
flat angles C4'-P-C4' energy: -114.675
flat angles P-C4'-P energy: -82.966
tors. eta vs tors. theta energy: -147.267
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: 480
Temperature: 1.050000
Total energy: -1728.429508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1728.429508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1728.429508 (E_RNA)
where:
Base-Base interactions energy: -1207.373
where: short stacking energy: -514.725
Base-Backbone interact. energy: -1.983
local terms energy: -519.073320
where:
bonds (distance) C4'-P energy: -91.654
bonds (distance) P-C4' energy: -93.879
flat angles C4'-P-C4' energy: -115.390
flat angles P-C4'-P energy: -77.548
tors. eta vs tors. theta energy: -140.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -1579.978399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1579.978399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1579.978399 (E_RNA)
where:
Base-Base interactions energy: -1099.999
where: short stacking energy: -480.369
Base-Backbone interact. energy: -3.756
local terms energy: -476.223591
where:
bonds (distance) C4'-P energy: -97.239
bonds (distance) P-C4' energy: -86.589
flat angles C4'-P-C4' energy: -98.978
flat angles P-C4'-P energy: -62.392
tors. eta vs tors. theta energy: -131.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -1564.024894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1564.024894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1564.024894 (E_RNA)
where:
Base-Base interactions energy: -1110.278
where: short stacking energy: -446.583
Base-Backbone interact. energy: 1.552
local terms energy: -455.298559
where:
bonds (distance) C4'-P energy: -76.731
bonds (distance) P-C4' energy: -87.473
flat angles C4'-P-C4' energy: -100.029
flat angles P-C4'-P energy: -71.285
tors. eta vs tors. theta energy: -119.781
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: 480
Temperature: 1.200000
Total energy: -1414.797966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.797966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.797966 (E_RNA)
where:
Base-Base interactions energy: -982.358
where: short stacking energy: -404.063
Base-Backbone interact. energy: -1.546
local terms energy: -430.893977
where:
bonds (distance) C4'-P energy: -75.023
bonds (distance) P-C4' energy: -100.351
flat angles C4'-P-C4' energy: -91.631
flat angles P-C4'-P energy: -65.237
tors. eta vs tors. theta energy: -98.651
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: 480
Temperature: 1.250000
Total energy: -1313.746351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.746351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.746351 (E_RNA)
where:
Base-Base interactions energy: -917.921
where: short stacking energy: -379.426
Base-Backbone interact. energy: -3.300
local terms energy: -392.525470
where:
bonds (distance) C4'-P energy: -98.152
bonds (distance) P-C4' energy: -70.457
flat angles C4'-P-C4' energy: -90.367
flat angles P-C4'-P energy: -37.999
tors. eta vs tors. theta energy: -95.552
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: 9, replica: 5
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -1130.097603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1130.097603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1130.097603 (E_RNA)
where:
Base-Base interactions energy: -750.878
where: short stacking energy: -317.481
Base-Backbone interact. energy: 1.767
local terms energy: -380.986923
where:
bonds (distance) C4'-P energy: -82.878
bonds (distance) P-C4' energy: -89.830
flat angles C4'-P-C4' energy: -89.962
flat angles P-C4'-P energy: -55.857
tors. eta vs tors. theta energy: -62.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -833.520802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -833.520802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -833.520802 (E_RNA)
where:
Base-Base interactions energy: -497.674
where: short stacking energy: -230.230
Base-Backbone interact. energy: -2.422
local terms energy: -333.424968
where:
bonds (distance) C4'-P energy: -76.248
bonds (distance) P-C4' energy: -92.192
flat angles C4'-P-C4' energy: -83.164
flat angles P-C4'-P energy: -52.417
tors. eta vs tors. theta energy: -29.404
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: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -1948.313326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1948.313326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1948.313326 (E_RNA)
where:
Base-Base interactions energy: -1378.287
where: short stacking energy: -552.305
Base-Backbone interact. energy: 1.552
local terms energy: -571.578452
where:
bonds (distance) C4'-P energy: -96.296
bonds (distance) P-C4' energy: -109.406
flat angles C4'-P-C4' energy: -123.934
flat angles P-C4'-P energy: -85.766
tors. eta vs tors. theta energy: -156.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -1873.429531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1873.429531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1873.429531 (E_RNA)
where:
Base-Base interactions energy: -1307.221
where: short stacking energy: -557.362
Base-Backbone interact. energy: -3.088
local terms energy: -563.120773
where:
bonds (distance) C4'-P energy: -91.541
bonds (distance) P-C4' energy: -108.962
flat angles C4'-P-C4' energy: -116.408
flat angles P-C4'-P energy: -83.119
tors. eta vs tors. theta energy: -163.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -1874.414497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.414497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.414497 (E_RNA)
where:
Base-Base interactions energy: -1358.352
where: short stacking energy: -539.781
Base-Backbone interact. energy: 4.305
local terms energy: -520.367689
where:
bonds (distance) C4'-P energy: -89.646
bonds (distance) P-C4' energy: -94.916
flat angles C4'-P-C4' energy: -114.847
flat angles P-C4'-P energy: -73.685
tors. eta vs tors. theta energy: -147.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -1713.883424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.883424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.883424 (E_RNA)
where:
Base-Base interactions energy: -1184.480
where: short stacking energy: -487.471
Base-Backbone interact. energy: -1.540
local terms energy: -527.863699
where:
bonds (distance) C4'-P energy: -103.922
bonds (distance) P-C4' energy: -89.740
flat angles C4'-P-C4' energy: -109.925
flat angles P-C4'-P energy: -79.168
tors. eta vs tors. theta energy: -145.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -1576.785193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1576.785193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1576.785193 (E_RNA)
where:
Base-Base interactions energy: -1094.297
where: short stacking energy: -473.720
Base-Backbone interact. energy: -0.835
local terms energy: -481.653285
where:
bonds (distance) C4'-P energy: -89.182
bonds (distance) P-C4' energy: -91.715
flat angles C4'-P-C4' energy: -100.463
flat angles P-C4'-P energy: -70.056
tors. eta vs tors. theta energy: -130.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -1591.760377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1591.760377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1591.760377 (E_RNA)
where:
Base-Base interactions energy: -1129.086
where: short stacking energy: -464.232
Base-Backbone interact. energy: -1.901
local terms energy: -460.772755
where:
bonds (distance) C4'-P energy: -76.249
bonds (distance) P-C4' energy: -95.869
flat angles C4'-P-C4' energy: -97.132
flat angles P-C4'-P energy: -70.902
tors. eta vs tors. theta energy: -120.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -1450.432552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1450.432552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1450.432552 (E_RNA)
where:
Base-Base interactions energy: -993.076
where: short stacking energy: -411.209
Base-Backbone interact. energy: -2.887
local terms energy: -454.469334
where:
bonds (distance) C4'-P energy: -90.432
bonds (distance) P-C4' energy: -95.916
flat angles C4'-P-C4' energy: -103.231
flat angles P-C4'-P energy: -70.349
tors. eta vs tors. theta energy: -94.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -1404.125540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1404.125540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1404.125540 (E_RNA)
where:
Base-Base interactions energy: -963.062
where: short stacking energy: -427.856
Base-Backbone interact. energy: 2.161
local terms energy: -443.224255
where:
bonds (distance) C4'-P energy: -82.790
bonds (distance) P-C4' energy: -88.773
flat angles C4'-P-C4' energy: -99.923
flat angles P-C4'-P energy: -67.760
tors. eta vs tors. theta energy: -103.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -1140.419506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1140.419506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1140.419506 (E_RNA)
where:
Base-Base interactions energy: -752.981
where: short stacking energy: -298.824
Base-Backbone interact. energy: 0.608
local terms energy: -388.046320
where:
bonds (distance) C4'-P energy: -79.543
bonds (distance) P-C4' energy: -90.197
flat angles C4'-P-C4' energy: -91.287
flat angles P-C4'-P energy: -70.093
tors. eta vs tors. theta energy: -56.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -842.936079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.936079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.936079 (E_RNA)
where:
Base-Base interactions energy: -533.761
where: short stacking energy: -261.116
Base-Backbone interact. energy: -1.178
local terms energy: -307.996541
where:
bonds (distance) C4'-P energy: -64.104
bonds (distance) P-C4' energy: -78.945
flat angles C4'-P-C4' energy: -75.437
flat angles P-C4'-P energy: -48.882
tors. eta vs tors. theta energy: -40.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -1970.577917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.577917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.577917 (E_RNA)
where:
Base-Base interactions energy: -1417.904
where: short stacking energy: -575.521
Base-Backbone interact. energy: -1.869
local terms energy: -550.805594
where:
bonds (distance) C4'-P energy: -86.837
bonds (distance) P-C4' energy: -104.097
flat angles C4'-P-C4' energy: -118.880
flat angles P-C4'-P energy: -79.481
tors. eta vs tors. theta energy: -161.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -1896.736266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1896.736266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1896.736266 (E_RNA)
where:
Base-Base interactions energy: -1346.667
where: short stacking energy: -559.623
Base-Backbone interact. energy: -0.346
local terms energy: -549.723255
where:
bonds (distance) C4'-P energy: -95.172
bonds (distance) P-C4' energy: -101.380
flat angles C4'-P-C4' energy: -121.944
flat angles P-C4'-P energy: -74.587
tors. eta vs tors. theta energy: -156.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -1838.145101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1838.145101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1838.145101 (E_RNA)
where:
Base-Base interactions energy: -1332.367
where: short stacking energy: -523.529
Base-Backbone interact. energy: -1.304
local terms energy: -504.473795
where:
bonds (distance) C4'-P energy: -85.248
bonds (distance) P-C4' energy: -85.057
flat angles C4'-P-C4' energy: -119.287
flat angles P-C4'-P energy: -76.381
tors. eta vs tors. theta energy: -138.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -1747.869955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1747.869955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1747.869955 (E_RNA)
where:
Base-Base interactions energy: -1234.418
where: short stacking energy: -527.446
Base-Backbone interact. energy: -1.981
local terms energy: -511.470914
where:
bonds (distance) C4'-P energy: -84.744
bonds (distance) P-C4' energy: -93.388
flat angles C4'-P-C4' energy: -111.156
flat angles P-C4'-P energy: -79.424
tors. eta vs tors. theta energy: -142.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -1573.469616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1573.469616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1573.469616 (E_RNA)
where:
Base-Base interactions energy: -1103.977
where: short stacking energy: -458.520
Base-Backbone interact. energy: 2.905
local terms energy: -472.397665
where:
bonds (distance) C4'-P energy: -90.804
bonds (distance) P-C4' energy: -89.962
flat angles C4'-P-C4' energy: -94.156
flat angles P-C4'-P energy: -70.394
tors. eta vs tors. theta energy: -127.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -1587.464594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1587.464594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1587.464594 (E_RNA)
where:
Base-Base interactions energy: -1115.452
where: short stacking energy: -440.352
Base-Backbone interact. energy: -0.492
local terms energy: -471.520317
where:
bonds (distance) C4'-P energy: -88.190
bonds (distance) P-C4' energy: -101.680
flat angles C4'-P-C4' energy: -100.977
flat angles P-C4'-P energy: -65.749
tors. eta vs tors. theta energy: -114.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -1426.795222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1426.795222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1426.795222 (E_RNA)
where:
Base-Base interactions energy: -1009.276
where: short stacking energy: -414.927
Base-Backbone interact. energy: -1.597
local terms energy: -415.922713
where:
bonds (distance) C4'-P energy: -90.584
bonds (distance) P-C4' energy: -79.690
flat angles C4'-P-C4' energy: -101.660
flat angles P-C4'-P energy: -52.051
tors. eta vs tors. theta energy: -91.938
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: 6
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -1379.230416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1379.230416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1379.230416 (E_RNA)
where:
Base-Base interactions energy: -962.493
where: short stacking energy: -401.807
Base-Backbone interact. energy: -1.966
local terms energy: -414.771754
where:
bonds (distance) C4'-P energy: -65.453
bonds (distance) P-C4' energy: -91.548
flat angles C4'-P-C4' energy: -96.776
flat angles P-C4'-P energy: -61.170
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: 9, replica: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -1074.946904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1074.946904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1074.946904 (E_RNA)
where:
Base-Base interactions energy: -734.315
where: short stacking energy: -323.975
Base-Backbone interact. energy: 2.302
local terms energy: -342.933891
where:
bonds (distance) C4'-P energy: -70.904
bonds (distance) P-C4' energy: -79.289
flat angles C4'-P-C4' energy: -98.653
flat angles P-C4'-P energy: -45.664
tors. eta vs tors. theta energy: -48.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -781.834091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -781.834091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -781.834091 (E_RNA)
where:
Base-Base interactions energy: -479.822
where: short stacking energy: -220.384
Base-Backbone interact. energy: -3.727
local terms energy: -298.285007
where:
bonds (distance) C4'-P energy: -75.414
bonds (distance) P-C4' energy: -85.361
flat angles C4'-P-C4' energy: -64.705
flat angles P-C4'-P energy: -42.505
tors. eta vs tors. theta energy: -30.300
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: 483
Temperature: 0.900000
Total energy: -1973.612717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1973.612717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1973.612717 (E_RNA)
where:
Base-Base interactions energy: -1393.885
where: short stacking energy: -567.607
Base-Backbone interact. energy: -4.426
local terms energy: -575.301863
where:
bonds (distance) C4'-P energy: -96.289
bonds (distance) P-C4' energy: -112.409
flat angles C4'-P-C4' energy: -118.179
flat angles P-C4'-P energy: -88.682
tors. eta vs tors. theta energy: -159.743
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: 2, replica: 8
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -1836.874504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.874504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.874504 (E_RNA)
where:
Base-Base interactions energy: -1310.345
where: short stacking energy: -514.186
Base-Backbone interact. energy: -1.396
local terms energy: -525.132846
where:
bonds (distance) C4'-P energy: -95.917
bonds (distance) P-C4' energy: -98.926
flat angles C4'-P-C4' energy: -106.403
flat angles P-C4'-P energy: -75.725
tors. eta vs tors. theta energy: -148.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -1874.475964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1874.475964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1874.475964 (E_RNA)
where:
Base-Base interactions energy: -1338.943
where: short stacking energy: -528.597
Base-Backbone interact. energy: 2.534
local terms energy: -538.066809
where:
bonds (distance) C4'-P energy: -93.456
bonds (distance) P-C4' energy: -97.731
flat angles C4'-P-C4' energy: -117.037
flat angles P-C4'-P energy: -82.049
tors. eta vs tors. theta energy: -147.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -1708.651265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.651265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.651265 (E_RNA)
where:
Base-Base interactions energy: -1229.499
where: short stacking energy: -504.724
Base-Backbone interact. energy: -1.941
local terms energy: -477.210863
where:
bonds (distance) C4'-P energy: -73.583
bonds (distance) P-C4' energy: -89.857
flat angles C4'-P-C4' energy: -108.591
flat angles P-C4'-P energy: -72.861
tors. eta vs tors. theta energy: -132.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -1546.918464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1546.918464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1546.918464 (E_RNA)
where:
Base-Base interactions energy: -1094.634
where: short stacking energy: -445.558
Base-Backbone interact. energy: -2.472
local terms energy: -449.811891
where:
bonds (distance) C4'-P energy: -84.776
bonds (distance) P-C4' energy: -76.301
flat angles C4'-P-C4' energy: -110.601
flat angles P-C4'-P energy: -65.730
tors. eta vs tors. theta energy: -112.405
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: 4
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -1580.131550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1580.131550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1580.131550 (E_RNA)
where:
Base-Base interactions energy: -1119.833
where: short stacking energy: -443.564
Base-Backbone interact. energy: -2.398
local terms energy: -457.900998
where:
bonds (distance) C4'-P energy: -84.386
bonds (distance) P-C4' energy: -89.807
flat angles C4'-P-C4' energy: -103.201
flat angles P-C4'-P energy: -69.149
tors. eta vs tors. theta energy: -111.358
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: 483
Temperature: 1.200000
Total energy: -1414.686635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1414.686635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1414.686635 (E_RNA)
where:
Base-Base interactions energy: -985.261
where: short stacking energy: -409.683
Base-Backbone interact. energy: 0.314
local terms energy: -429.739690
where:
bonds (distance) C4'-P energy: -79.337
bonds (distance) P-C4' energy: -85.159
flat angles C4'-P-C4' energy: -107.906
flat angles P-C4'-P energy: -57.512
tors. eta vs tors. theta energy: -99.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -1312.263298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1312.263298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1312.263298 (E_RNA)
where:
Base-Base interactions energy: -893.281
where: short stacking energy: -391.663
Base-Backbone interact. energy: 2.749
local terms energy: -421.731236
where:
bonds (distance) C4'-P energy: -75.738
bonds (distance) P-C4' energy: -88.238
flat angles C4'-P-C4' energy: -100.676
flat angles P-C4'-P energy: -60.094
tors. eta vs tors. theta energy: -96.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -1147.667015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.667015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.667015 (E_RNA)
where:
Base-Base interactions energy: -779.362
where: short stacking energy: -338.186
Base-Backbone interact. energy: -1.421
local terms energy: -366.884030
where:
bonds (distance) C4'-P energy: -81.865
bonds (distance) P-C4' energy: -82.149
flat angles C4'-P-C4' energy: -80.399
flat angles P-C4'-P energy: -51.182
tors. eta vs tors. theta energy: -71.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -827.418497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -827.418497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -827.418497 (E_RNA)
where:
Base-Base interactions energy: -516.864
where: short stacking energy: -238.209
Base-Backbone interact. energy: 1.853
local terms energy: -312.407501
where:
bonds (distance) C4'-P energy: -74.742
bonds (distance) P-C4' energy: -85.208
flat angles C4'-P-C4' energy: -82.442
flat angles P-C4'-P energy: -44.178
tors. eta vs tors. theta energy: -25.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -1963.463353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.463353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.463353 (E_RNA)
where:
Base-Base interactions energy: -1388.307
where: short stacking energy: -560.787
Base-Backbone interact. energy: -3.295
local terms energy: -571.860795
where:
bonds (distance) C4'-P energy: -106.096
bonds (distance) P-C4' energy: -106.221
flat angles C4'-P-C4' energy: -121.018
flat angles P-C4'-P energy: -78.137
tors. eta vs tors. theta energy: -160.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -1849.631837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1849.631837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1849.631837 (E_RNA)
where:
Base-Base interactions energy: -1302.381
where: short stacking energy: -554.838
Base-Backbone interact. energy: 0.584
local terms energy: -547.835228
where:
bonds (distance) C4'-P energy: -100.364
bonds (distance) P-C4' energy: -101.251
flat angles C4'-P-C4' energy: -118.046
flat angles P-C4'-P energy: -75.865
tors. eta vs tors. theta energy: -152.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -1864.436681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1864.436681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1864.436681 (E_RNA)
where:
Base-Base interactions energy: -1357.100
where: short stacking energy: -518.537
Base-Backbone interact. energy: -2.193
local terms energy: -505.144295
where:
bonds (distance) C4'-P energy: -94.414
bonds (distance) P-C4' energy: -99.053
flat angles C4'-P-C4' energy: -109.939
flat angles P-C4'-P energy: -67.405
tors. eta vs tors. theta energy: -134.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -1691.355505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1691.355505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1691.355505 (E_RNA)
where:
Base-Base interactions energy: -1196.814
where: short stacking energy: -493.807
Base-Backbone interact. energy: -2.722
local terms energy: -491.818732
where:
bonds (distance) C4'-P energy: -93.082
bonds (distance) P-C4' energy: -91.314
flat angles C4'-P-C4' energy: -114.070
flat angles P-C4'-P energy: -67.312
tors. eta vs tors. theta energy: -126.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -1645.023361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1645.023361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1645.023361 (E_RNA)
where:
Base-Base interactions energy: -1174.334
where: short stacking energy: -481.726
Base-Backbone interact. energy: -0.596
local terms energy: -470.093553
where:
bonds (distance) C4'-P energy: -81.239
bonds (distance) P-C4' energy: -84.346
flat angles C4'-P-C4' energy: -104.873
flat angles P-C4'-P energy: -70.414
tors. eta vs tors. theta energy: -129.221
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: 9
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -1503.591082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.591082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.591082 (E_RNA)
where:
Base-Base interactions energy: -1050.081
where: short stacking energy: -443.904
Base-Backbone interact. energy: -3.112
local terms energy: -450.397798
where:
bonds (distance) C4'-P energy: -79.621
bonds (distance) P-C4' energy: -99.993
flat angles C4'-P-C4' energy: -92.327
flat angles P-C4'-P energy: -68.226
tors. eta vs tors. theta energy: -110.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -1458.676311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.676311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.676311 (E_RNA)
where:
Base-Base interactions energy: -1026.933
where: short stacking energy: -382.026
Base-Backbone interact. energy: -0.200
local terms energy: -431.542680
where:
bonds (distance) C4'-P energy: -75.668
bonds (distance) P-C4' energy: -98.088
flat angles C4'-P-C4' energy: -95.291
flat angles P-C4'-P energy: -63.120
tors. eta vs tors. theta energy: -99.375
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: 6
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -1348.256579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1348.256579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1348.256579 (E_RNA)
where:
Base-Base interactions energy: -919.539
where: short stacking energy: -393.234
Base-Backbone interact. energy: 1.155
local terms energy: -429.872120
where:
bonds (distance) C4'-P energy: -79.908
bonds (distance) P-C4' energy: -90.816
flat angles C4'-P-C4' energy: -98.857
flat angles P-C4'-P energy: -62.227
tors. eta vs tors. theta energy: -98.063
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: 5
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -1126.171756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1126.171756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1126.171756 (E_RNA)
where:
Base-Base interactions energy: -762.435
where: short stacking energy: -326.456
Base-Backbone interact. energy: -2.671
local terms energy: -361.065468
where:
bonds (distance) C4'-P energy: -78.984
bonds (distance) P-C4' energy: -81.499
flat angles C4'-P-C4' energy: -72.006
flat angles P-C4'-P energy: -48.453
tors. eta vs tors. theta energy: -80.125
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: 10
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -863.814797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -863.814797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -863.814797 (E_RNA)
where:
Base-Base interactions energy: -518.491
where: short stacking energy: -231.028
Base-Backbone interact. energy: 3.926
local terms energy: -349.249971
where:
bonds (distance) C4'-P energy: -82.087
bonds (distance) P-C4' energy: -98.547
flat angles C4'-P-C4' energy: -90.062
flat angles P-C4'-P energy: -52.452
tors. eta vs tors. theta energy: -26.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -1977.916506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.916506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.916506 (E_RNA)
where:
Base-Base interactions energy: -1409.279
where: short stacking energy: -551.894
Base-Backbone interact. energy: -0.060
local terms energy: -568.577649
where:
bonds (distance) C4'-P energy: -88.583
bonds (distance) P-C4' energy: -109.029
flat angles C4'-P-C4' energy: -123.371
flat angles P-C4'-P energy: -87.721
tors. eta vs tors. theta energy: -159.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -1891.970941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1891.970941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1891.970941 (E_RNA)
where:
Base-Base interactions energy: -1357.649
where: short stacking energy: -540.530
Base-Backbone interact. energy: -5.059
local terms energy: -529.263075
where:
bonds (distance) C4'-P energy: -99.811
bonds (distance) P-C4' energy: -89.007
flat angles C4'-P-C4' energy: -123.717
flat angles P-C4'-P energy: -65.748
tors. eta vs tors. theta energy: -150.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -1789.587776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1789.587776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1789.587776 (E_RNA)
where:
Base-Base interactions energy: -1270.785
where: short stacking energy: -518.513
Base-Backbone interact. energy: -1.732
local terms energy: -517.070858
where:
bonds (distance) C4'-P energy: -95.582
bonds (distance) P-C4' energy: -104.688
flat angles C4'-P-C4' energy: -113.716
flat angles P-C4'-P energy: -68.533
tors. eta vs tors. theta energy: -134.551
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: 3
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -1711.527618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.527618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.527618 (E_RNA)
where:
Base-Base interactions energy: -1205.794
where: short stacking energy: -503.403
Base-Backbone interact. energy: -2.039
local terms energy: -503.694026
where:
bonds (distance) C4'-P energy: -82.784
bonds (distance) P-C4' energy: -104.660
flat angles C4'-P-C4' energy: -115.139
flat angles P-C4'-P energy: -71.100
tors. eta vs tors. theta energy: -130.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -1648.794854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.794854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.794854 (E_RNA)
where:
Base-Base interactions energy: -1179.576
where: short stacking energy: -472.425
Base-Backbone interact. energy: -2.579
local terms energy: -466.639304
where:
bonds (distance) C4'-P energy: -99.245
bonds (distance) P-C4' energy: -81.760
flat angles C4'-P-C4' energy: -103.825
flat angles P-C4'-P energy: -61.632
tors. eta vs tors. theta energy: -120.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -1512.885260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.885260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.885260 (E_RNA)
where:
Base-Base interactions energy: -1066.358
where: short stacking energy: -438.468
Base-Backbone interact. energy: 0.125
local terms energy: -446.652193
where:
bonds (distance) C4'-P energy: -84.760
bonds (distance) P-C4' energy: -95.317
flat angles C4'-P-C4' energy: -97.739
flat angles P-C4'-P energy: -63.591
tors. eta vs tors. theta energy: -105.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -1458.054676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.054676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.054676 (E_RNA)
where:
Base-Base interactions energy: -1017.541
where: short stacking energy: -420.582
Base-Backbone interact. energy: -2.790
local terms energy: -437.723571
where:
bonds (distance) C4'-P energy: -77.770
bonds (distance) P-C4' energy: -94.263
flat angles C4'-P-C4' energy: -99.509
flat angles P-C4'-P energy: -54.827
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: 6
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -1333.827472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1333.827472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1333.827472 (E_RNA)
where:
Base-Base interactions energy: -916.209
where: short stacking energy: -387.430
Base-Backbone interact. energy: 1.857
local terms energy: -419.475409
where:
bonds (distance) C4'-P energy: -83.411
bonds (distance) P-C4' energy: -74.356
flat angles C4'-P-C4' energy: -104.746
flat angles P-C4'-P energy: -60.409
tors. eta vs tors. theta energy: -96.554
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: 9, replica: 5
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -1177.180462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1177.180462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1177.180462 (E_RNA)
where:
Base-Base interactions energy: -829.306
where: short stacking energy: -341.930
Base-Backbone interact. energy: -1.705
local terms energy: -346.169560
where:
bonds (distance) C4'-P energy: -70.703
bonds (distance) P-C4' energy: -80.184
flat angles C4'-P-C4' energy: -82.899
flat angles P-C4'-P energy: -45.308
tors. eta vs tors. theta energy: -67.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -867.770204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -867.770204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -867.770204 (E_RNA)
where:
Base-Base interactions energy: -538.564
where: short stacking energy: -266.230
Base-Backbone interact. energy: -0.790
local terms energy: -328.415806
where:
bonds (distance) C4'-P energy: -80.931
bonds (distance) P-C4' energy: -85.995
flat angles C4'-P-C4' energy: -81.788
flat angles P-C4'-P energy: -46.143
tors. eta vs tors. theta energy: -33.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -1968.701963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1968.701963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1968.701963 (E_RNA)
where:
Base-Base interactions energy: -1395.294
where: short stacking energy: -562.266
Base-Backbone interact. energy: -5.303
local terms energy: -568.105235
where:
bonds (distance) C4'-P energy: -93.815
bonds (distance) P-C4' energy: -100.194
flat angles C4'-P-C4' energy: -128.544
flat angles P-C4'-P energy: -82.426
tors. eta vs tors. theta energy: -163.125
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: 2, replica: 1
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -1878.526440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.526440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.526440 (E_RNA)
where:
Base-Base interactions energy: -1346.180
where: short stacking energy: -533.918
Base-Backbone interact. energy: 0.338
local terms energy: -532.684872
where:
bonds (distance) C4'-P energy: -104.000
bonds (distance) P-C4' energy: -103.128
flat angles C4'-P-C4' energy: -112.014
flat angles P-C4'-P energy: -58.065
tors. eta vs tors. theta energy: -155.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -1812.144219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1812.144219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1812.144219 (E_RNA)
where:
Base-Base interactions energy: -1291.712
where: short stacking energy: -520.461
Base-Backbone interact. energy: -0.198
local terms energy: -520.234110
where:
bonds (distance) C4'-P energy: -93.584
bonds (distance) P-C4' energy: -93.513
flat angles C4'-P-C4' energy: -101.858
flat angles P-C4'-P energy: -74.701
tors. eta vs tors. theta energy: -156.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -1653.820634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1653.820634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1653.820634 (E_RNA)
where:
Base-Base interactions energy: -1183.299
where: short stacking energy: -488.627
Base-Backbone interact. energy: -2.049
local terms energy: -468.472450
where:
bonds (distance) C4'-P energy: -95.395
bonds (distance) P-C4' energy: -81.648
flat angles C4'-P-C4' energy: -102.219
flat angles P-C4'-P energy: -60.377
tors. eta vs tors. theta energy: -128.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -1667.029330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.029330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.029330 (E_RNA)
where:
Base-Base interactions energy: -1162.258
where: short stacking energy: -451.118
Base-Backbone interact. energy: -1.927
local terms energy: -502.844243
where:
bonds (distance) C4'-P energy: -106.682
bonds (distance) P-C4' energy: -90.787
flat angles C4'-P-C4' energy: -100.554
flat angles P-C4'-P energy: -71.344
tors. eta vs tors. theta energy: -133.478
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: 9
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -1487.829050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1487.829050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1487.829050 (E_RNA)
where:
Base-Base interactions energy: -1044.284
where: short stacking energy: -425.800
Base-Backbone interact. energy: 0.659
local terms energy: -444.203623
where:
bonds (distance) C4'-P energy: -83.726
bonds (distance) P-C4' energy: -89.275
flat angles C4'-P-C4' energy: -103.929
flat angles P-C4'-P energy: -57.978
tors. eta vs tors. theta energy: -109.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -1454.092442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1454.092442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1454.092442 (E_RNA)
where:
Base-Base interactions energy: -996.016
where: short stacking energy: -406.266
Base-Backbone interact. energy: -1.046
local terms energy: -457.030600
where:
bonds (distance) C4'-P energy: -79.494
bonds (distance) P-C4' energy: -99.409
flat angles C4'-P-C4' energy: -97.798
flat angles P-C4'-P energy: -77.595
tors. eta vs tors. theta energy: -102.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -1288.676536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1288.676536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1288.676536 (E_RNA)
where:
Base-Base interactions energy: -869.758
where: short stacking energy: -391.627
Base-Backbone interact. energy: -1.851
local terms energy: -417.067981
where:
bonds (distance) C4'-P energy: -79.757
bonds (distance) P-C4' energy: -80.564
flat angles C4'-P-C4' energy: -101.645
flat angles P-C4'-P energy: -52.920
tors. eta vs tors. theta energy: -102.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -1181.983649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1181.983649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1181.983649 (E_RNA)
where:
Base-Base interactions energy: -820.792
where: short stacking energy: -342.897
Base-Backbone interact. energy: 1.712
local terms energy: -362.903422
where:
bonds (distance) C4'-P energy: -75.098
bonds (distance) P-C4' energy: -81.681
flat angles C4'-P-C4' energy: -96.891
flat angles P-C4'-P energy: -46.365
tors. eta vs tors. theta energy: -62.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -836.902451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.902451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.902451 (E_RNA)
where:
Base-Base interactions energy: -504.928
where: short stacking energy: -250.133
Base-Backbone interact. energy: 2.742
local terms energy: -334.716051
where:
bonds (distance) C4'-P energy: -76.199
bonds (distance) P-C4' energy: -80.210
flat angles C4'-P-C4' energy: -87.933
flat angles P-C4'-P energy: -50.032
tors. eta vs tors. theta energy: -40.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -1965.716386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1965.716386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1965.716386 (E_RNA)
where:
Base-Base interactions energy: -1395.513
where: short stacking energy: -571.318
Base-Backbone interact. energy: -1.918
local terms energy: -568.285384
where:
bonds (distance) C4'-P energy: -113.342
bonds (distance) P-C4' energy: -110.616
flat angles C4'-P-C4' energy: -114.620
flat angles P-C4'-P energy: -71.499
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: 2, replica: 1
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -1875.054345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1875.054345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1875.054345 (E_RNA)
where:
Base-Base interactions energy: -1334.614
where: short stacking energy: -533.824
Base-Backbone interact. energy: -0.723
local terms energy: -539.717110
where:
bonds (distance) C4'-P energy: -95.863
bonds (distance) P-C4' energy: -106.526
flat angles C4'-P-C4' energy: -114.601
flat angles P-C4'-P energy: -71.233
tors. eta vs tors. theta energy: -151.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -1766.623720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1766.623720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1766.623720 (E_RNA)
where:
Base-Base interactions energy: -1252.660
where: short stacking energy: -519.991
Base-Backbone interact. energy: -2.040
local terms energy: -511.923819
where:
bonds (distance) C4'-P energy: -94.155
bonds (distance) P-C4' energy: -95.822
flat angles C4'-P-C4' energy: -108.899
flat angles P-C4'-P energy: -76.640
tors. eta vs tors. theta energy: -136.409
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: 487
Temperature: 1.050000
Total energy: -1693.239243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1693.239243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1693.239243 (E_RNA)
where:
Base-Base interactions energy: -1182.668
where: short stacking energy: -486.082
Base-Backbone interact. energy: -1.653
local terms energy: -508.918201
where:
bonds (distance) C4'-P energy: -87.341
bonds (distance) P-C4' energy: -100.649
flat angles C4'-P-C4' energy: -115.042
flat angles P-C4'-P energy: -70.685
tors. eta vs tors. theta energy: -135.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -1631.797317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1631.797317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1631.797317 (E_RNA)
where:
Base-Base interactions energy: -1147.967
where: short stacking energy: -455.793
Base-Backbone interact. energy: -1.903
local terms energy: -481.927045
where:
bonds (distance) C4'-P energy: -70.626
bonds (distance) P-C4' energy: -99.938
flat angles C4'-P-C4' energy: -118.382
flat angles P-C4'-P energy: -68.628
tors. eta vs tors. theta energy: -124.352
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: 9
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -1530.821440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.821440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.821440 (E_RNA)
where:
Base-Base interactions energy: -1060.163
where: short stacking energy: -443.575
Base-Backbone interact. energy: -2.160
local terms energy: -468.498446
where:
bonds (distance) C4'-P energy: -97.782
bonds (distance) P-C4' energy: -99.285
flat angles C4'-P-C4' energy: -100.470
flat angles P-C4'-P energy: -58.869
tors. eta vs tors. theta energy: -112.092
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: 487
Temperature: 1.200000
Total energy: -1458.738635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1458.738635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1458.738635 (E_RNA)
where:
Base-Base interactions energy: -1031.295
where: short stacking energy: -438.278
Base-Backbone interact. energy: 1.094
local terms energy: -428.537886
where:
bonds (distance) C4'-P energy: -70.523
bonds (distance) P-C4' energy: -84.663
flat angles C4'-P-C4' energy: -95.832
flat angles P-C4'-P energy: -66.574
tors. eta vs tors. theta energy: -110.945
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: 6
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -1261.676326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1261.676326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1261.676326 (E_RNA)
where:
Base-Base interactions energy: -849.094
where: short stacking energy: -369.220
Base-Backbone interact. energy: -0.938
local terms energy: -411.644687
where:
bonds (distance) C4'-P energy: -92.542
bonds (distance) P-C4' energy: -80.336
flat angles C4'-P-C4' energy: -95.957
flat angles P-C4'-P energy: -59.604
tors. eta vs tors. theta energy: -83.206
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: 5
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -1149.179548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1149.179548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1149.179548 (E_RNA)
where:
Base-Base interactions energy: -757.155
where: short stacking energy: -309.737
Base-Backbone interact. energy: -1.540
local terms energy: -390.484662
where:
bonds (distance) C4'-P energy: -76.943
bonds (distance) P-C4' energy: -82.586
flat angles C4'-P-C4' energy: -93.703
flat angles P-C4'-P energy: -70.105
tors. eta vs tors. theta energy: -67.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -835.015796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -835.015796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -835.015796 (E_RNA)
where:
Base-Base interactions energy: -503.416
where: short stacking energy: -228.218
Base-Backbone interact. energy: 0.250
local terms energy: -331.849517
where:
bonds (distance) C4'-P energy: -81.295
bonds (distance) P-C4' energy: -98.583
flat angles C4'-P-C4' energy: -80.503
flat angles P-C4'-P energy: -38.268
tors. eta vs tors. theta energy: -33.201
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: 2
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -1982.855760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.855760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.855760 (E_RNA)
where:
Base-Base interactions energy: -1431.224
where: short stacking energy: -575.151
Base-Backbone interact. energy: -0.307
local terms energy: -551.324892
where:
bonds (distance) C4'-P energy: -98.282
bonds (distance) P-C4' energy: -102.243
flat angles C4'-P-C4' energy: -101.740
flat angles P-C4'-P energy: -89.013
tors. eta vs tors. theta energy: -160.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -1843.578732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1843.578732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1843.578732 (E_RNA)
where:
Base-Base interactions energy: -1318.617
where: short stacking energy: -529.561
Base-Backbone interact. energy: -1.905
local terms energy: -523.056634
where:
bonds (distance) C4'-P energy: -99.881
bonds (distance) P-C4' energy: -97.601
flat angles C4'-P-C4' energy: -116.027
flat angles P-C4'-P energy: -71.067
tors. eta vs tors. theta energy: -138.480
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: 8
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -1772.972713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1772.972713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1772.972713 (E_RNA)
where:
Base-Base interactions energy: -1239.953
where: short stacking energy: -509.472
Base-Backbone interact. energy: 2.142
local terms energy: -535.161724
where:
bonds (distance) C4'-P energy: -80.610
bonds (distance) P-C4' energy: -104.342
flat angles C4'-P-C4' energy: -122.793
flat angles P-C4'-P energy: -78.202
tors. eta vs tors. theta energy: -149.215
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: 4, replica: 4
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -1720.921264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1720.921264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1720.921264 (E_RNA)
where:
Base-Base interactions energy: -1201.984
where: short stacking energy: -480.628
Base-Backbone interact. energy: -1.952
local terms energy: -516.985485
where:
bonds (distance) C4'-P energy: -93.271
bonds (distance) P-C4' energy: -106.215
flat angles C4'-P-C4' energy: -108.267
flat angles P-C4'-P energy: -75.565
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: 5, replica: 3
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -1671.880947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1671.880947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1671.880947 (E_RNA)
where:
Base-Base interactions energy: -1188.513
where: short stacking energy: -485.665
Base-Backbone interact. energy: -1.185
local terms energy: -482.182983
where:
bonds (distance) C4'-P energy: -83.473
bonds (distance) P-C4' energy: -92.932
flat angles C4'-P-C4' energy: -100.940
flat angles P-C4'-P energy: -74.200
tors. eta vs tors. theta energy: -130.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -1532.845575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.845575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.845575 (E_RNA)
where:
Base-Base interactions energy: -1065.906
where: short stacking energy: -459.739
Base-Backbone interact. energy: -2.867
local terms energy: -464.072029
where:
bonds (distance) C4'-P energy: -103.569
bonds (distance) P-C4' energy: -81.608
flat angles C4'-P-C4' energy: -106.181
flat angles P-C4'-P energy: -66.883
tors. eta vs tors. theta energy: -105.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -1495.505067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1495.505067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1495.505067 (E_RNA)
where:
Base-Base interactions energy: -1046.398
where: short stacking energy: -417.151
Base-Backbone interact. energy: -0.856
local terms energy: -448.250988
where:
bonds (distance) C4'-P energy: -98.999
bonds (distance) P-C4' energy: -87.631
flat angles C4'-P-C4' energy: -98.280
flat angles P-C4'-P energy: -63.679
tors. eta vs tors. theta energy: -99.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -1340.713858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1340.713858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1340.713858 (E_RNA)
where:
Base-Base interactions energy: -910.981
where: short stacking energy: -400.391
Base-Backbone interact. energy: -0.311
local terms energy: -429.421534
where:
bonds (distance) C4'-P energy: -74.935
bonds (distance) P-C4' energy: -99.113
flat angles C4'-P-C4' energy: -103.369
flat angles P-C4'-P energy: -56.078
tors. eta vs tors. theta energy: -95.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -1155.837449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1155.837449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1155.837449 (E_RNA)
where:
Base-Base interactions energy: -776.847
where: short stacking energy: -333.387
Base-Backbone interact. energy: 0.018
local terms energy: -379.008839
where:
bonds (distance) C4'-P energy: -97.671
bonds (distance) P-C4' energy: -69.016
flat angles C4'-P-C4' energy: -86.738
flat angles P-C4'-P energy: -56.013
tors. eta vs tors. theta energy: -69.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -800.410996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -800.410996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -800.410996 (E_RNA)
where:
Base-Base interactions energy: -485.489
where: short stacking energy: -212.800
Base-Backbone interact. energy: -0.509
local terms energy: -314.412937
where:
bonds (distance) C4'-P energy: -84.879
bonds (distance) P-C4' energy: -80.202
flat angles C4'-P-C4' energy: -79.204
flat angles P-C4'-P energy: -49.747
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -1963.364543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1963.364543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1963.364543 (E_RNA)
where:
Base-Base interactions energy: -1392.859
where: short stacking energy: -576.483
Base-Backbone interact. energy: -1.242
local terms energy: -569.263128
where:
bonds (distance) C4'-P energy: -93.357
bonds (distance) P-C4' energy: -108.764
flat angles C4'-P-C4' energy: -125.489
flat angles P-C4'-P energy: -79.113
tors. eta vs tors. theta energy: -162.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -1854.557146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.557146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.557146 (E_RNA)
where:
Base-Base interactions energy: -1312.798
where: short stacking energy: -499.176
Base-Backbone interact. energy: 0.813
local terms energy: -542.572316
where:
bonds (distance) C4'-P energy: -109.968
bonds (distance) P-C4' energy: -96.599
flat angles C4'-P-C4' energy: -121.073
flat angles P-C4'-P energy: -82.804
tors. eta vs tors. theta energy: -132.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -1802.799758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.799758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.799758 (E_RNA)
where:
Base-Base interactions energy: -1269.672
where: short stacking energy: -542.761
Base-Backbone interact. energy: 1.099
local terms energy: -534.227413
where:
bonds (distance) C4'-P energy: -90.125
bonds (distance) P-C4' energy: -103.008
flat angles C4'-P-C4' energy: -110.362
flat angles P-C4'-P energy: -76.108
tors. eta vs tors. theta energy: -154.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -1722.907056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.907056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.907056 (E_RNA)
where:
Base-Base interactions energy: -1221.676
where: short stacking energy: -494.690
Base-Backbone interact. energy: -1.962
local terms energy: -499.268663
where:
bonds (distance) C4'-P energy: -93.216
bonds (distance) P-C4' energy: -102.108
flat angles C4'-P-C4' energy: -108.916
flat angles P-C4'-P energy: -64.965
tors. eta vs tors. theta energy: -130.065
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: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -1667.181533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1667.181533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1667.181533 (E_RNA)
where:
Base-Base interactions energy: -1180.591
where: short stacking energy: -469.612
Base-Backbone interact. energy: -1.589
local terms energy: -485.001994
where:
bonds (distance) C4'-P energy: -95.002
bonds (distance) P-C4' energy: -91.467
flat angles C4'-P-C4' energy: -104.199
flat angles P-C4'-P energy: -63.276
tors. eta vs tors. theta energy: -131.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -1508.528412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.528412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.528412 (E_RNA)
where:
Base-Base interactions energy: -1069.224
where: short stacking energy: -431.239
Base-Backbone interact. energy: 1.756
local terms energy: -441.060607
where:
bonds (distance) C4'-P energy: -88.326
bonds (distance) P-C4' energy: -82.153
flat angles C4'-P-C4' energy: -92.872
flat angles P-C4'-P energy: -61.265
tors. eta vs tors. theta energy: -116.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -1453.043991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1453.043991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1453.043991 (E_RNA)
where:
Base-Base interactions energy: -1026.244
where: short stacking energy: -426.045
Base-Backbone interact. energy: -0.160
local terms energy: -426.639951
where:
bonds (distance) C4'-P energy: -64.507
bonds (distance) P-C4' energy: -90.885
flat angles C4'-P-C4' energy: -102.034
flat angles P-C4'-P energy: -61.872
tors. eta vs tors. theta energy: -107.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -1264.594547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1264.594547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1264.594547 (E_RNA)
where:
Base-Base interactions energy: -852.221
where: short stacking energy: -373.372
Base-Backbone interact. energy: 2.093
local terms energy: -414.466724
where:
bonds (distance) C4'-P energy: -73.655
bonds (distance) P-C4' energy: -99.383
flat angles C4'-P-C4' energy: -91.607
flat angles P-C4'-P energy: -67.383
tors. eta vs tors. theta energy: -82.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -1147.096260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1147.096260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1147.096260 (E_RNA)
where:
Base-Base interactions energy: -780.559
where: short stacking energy: -295.286
Base-Backbone interact. energy: 0.547
local terms energy: -367.083563
where:
bonds (distance) C4'-P energy: -83.173
bonds (distance) P-C4' energy: -82.431
flat angles C4'-P-C4' energy: -88.956
flat angles P-C4'-P energy: -47.688
tors. eta vs tors. theta energy: -64.835
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: 10
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -864.508971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -864.508971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -864.508971 (E_RNA)
where:
Base-Base interactions energy: -544.085
where: short stacking energy: -243.786
Base-Backbone interact. energy: 3.364
local terms energy: -323.787926
where:
bonds (distance) C4'-P energy: -92.720
bonds (distance) P-C4' energy: -97.515
flat angles C4'-P-C4' energy: -83.983
flat angles P-C4'-P energy: -27.296
tors. eta vs tors. theta energy: -22.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -1983.473558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1983.473558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1983.473558 (E_RNA)
where:
Base-Base interactions energy: -1402.994
where: short stacking energy: -572.780
Base-Backbone interact. energy: -0.938
local terms energy: -579.541285
where:
bonds (distance) C4'-P energy: -105.249
bonds (distance) P-C4' energy: -109.846
flat angles C4'-P-C4' energy: -113.810
flat angles P-C4'-P energy: -85.983
tors. eta vs tors. theta energy: -164.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -1846.480106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1846.480106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1846.480106 (E_RNA)
where:
Base-Base interactions energy: -1327.448
where: short stacking energy: -518.448
Base-Backbone interact. energy: 2.745
local terms energy: -521.776672
where:
bonds (distance) C4'-P energy: -91.859
bonds (distance) P-C4' energy: -101.745
flat angles C4'-P-C4' energy: -119.801
flat angles P-C4'-P energy: -70.003
tors. eta vs tors. theta energy: -138.369
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: 8
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -1811.344228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1811.344228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1811.344228 (E_RNA)
where:
Base-Base interactions energy: -1301.520
where: short stacking energy: -539.851
Base-Backbone interact. energy: -4.748
local terms energy: -505.076253
where:
bonds (distance) C4'-P energy: -80.947
bonds (distance) P-C4' energy: -91.328
flat angles C4'-P-C4' energy: -107.139
flat angles P-C4'-P energy: -77.233
tors. eta vs tors. theta energy: -148.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -1722.297649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1722.297649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1722.297649 (E_RNA)
where:
Base-Base interactions energy: -1205.057
where: short stacking energy: -505.590
Base-Backbone interact. energy: -1.868
local terms energy: -515.372531
where:
bonds (distance) C4'-P energy: -95.488
bonds (distance) P-C4' energy: -110.248
flat angles C4'-P-C4' energy: -96.211
flat angles P-C4'-P energy: -81.095
tors. eta vs tors. theta energy: -132.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -1596.006906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1596.006906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1596.006906 (E_RNA)
where:
Base-Base interactions energy: -1128.228
where: short stacking energy: -471.532
Base-Backbone interact. energy: -1.542
local terms energy: -466.236909
where:
bonds (distance) C4'-P energy: -94.964
bonds (distance) P-C4' energy: -99.675
flat angles C4'-P-C4' energy: -107.215
flat angles P-C4'-P energy: -55.009
tors. eta vs tors. theta energy: -109.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -1624.906036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1624.906036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1624.906036 (E_RNA)
where:
Base-Base interactions energy: -1160.470
where: short stacking energy: -475.738
Base-Backbone interact. energy: -1.172
local terms energy: -463.264264
where:
bonds (distance) C4'-P energy: -93.996
bonds (distance) P-C4' energy: -84.566
flat angles C4'-P-C4' energy: -104.796
flat angles P-C4'-P energy: -54.336
tors. eta vs tors. theta energy: -125.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -1476.261523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1476.261523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1476.261523 (E_RNA)
where:
Base-Base interactions energy: -1039.789
where: short stacking energy: -430.930
Base-Backbone interact. energy: 1.659
local terms energy: -438.132057
where:
bonds (distance) C4'-P energy: -82.173
bonds (distance) P-C4' energy: -80.857
flat angles C4'-P-C4' energy: -102.885
flat angles P-C4'-P energy: -63.530
tors. eta vs tors. theta energy: -108.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -1281.908018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1281.908018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1281.908018 (E_RNA)
where:
Base-Base interactions energy: -869.740
where: short stacking energy: -355.163
Base-Backbone interact. energy: -0.189
local terms energy: -411.979608
where:
bonds (distance) C4'-P energy: -82.743
bonds (distance) P-C4' energy: -98.400
flat angles C4'-P-C4' energy: -85.319
flat angles P-C4'-P energy: -64.318
tors. eta vs tors. theta energy: -81.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -1165.967276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1165.967276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1165.967276 (E_RNA)
where:
Base-Base interactions energy: -763.239
where: short stacking energy: -333.225
Base-Backbone interact. energy: 0.369
local terms energy: -403.097429
where:
bonds (distance) C4'-P energy: -88.769
bonds (distance) P-C4' energy: -99.771
flat angles C4'-P-C4' energy: -94.533
flat angles P-C4'-P energy: -51.490
tors. eta vs tors. theta energy: -68.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -849.482922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -849.482922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -849.482922 (E_RNA)
where:
Base-Base interactions energy: -540.032
where: short stacking energy: -225.771
Base-Backbone interact. energy: -0.633
local terms energy: -308.817316
where:
bonds (distance) C4'-P energy: -74.356
bonds (distance) P-C4' energy: -90.710
flat angles C4'-P-C4' energy: -80.361
flat angles P-C4'-P energy: -48.534
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -1966.063000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1966.063000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1966.063000 (E_RNA)
where:
Base-Base interactions energy: -1401.776
where: short stacking energy: -581.748
Base-Backbone interact. energy: -2.061
local terms energy: -562.226210
where:
bonds (distance) C4'-P energy: -99.337
bonds (distance) P-C4' energy: -105.876
flat angles C4'-P-C4' energy: -117.141
flat angles P-C4'-P energy: -74.341
tors. eta vs tors. theta energy: -165.532
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: 2, replica: 8
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -1802.010433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1802.010433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1802.010433 (E_RNA)
where:
Base-Base interactions energy: -1256.174
where: short stacking energy: -523.586
Base-Backbone interact. energy: -3.952
local terms energy: -541.884382
where:
bonds (distance) C4'-P energy: -97.962
bonds (distance) P-C4' energy: -104.502
flat angles C4'-P-C4' energy: -107.662
flat angles P-C4'-P energy: -79.416
tors. eta vs tors. theta energy: -152.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -1823.394429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1823.394429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1823.394429 (E_RNA)
where:
Base-Base interactions energy: -1320.890
where: short stacking energy: -522.427
Base-Backbone interact. energy: -2.417
local terms energy: -500.088266
where:
bonds (distance) C4'-P energy: -85.232
bonds (distance) P-C4' energy: -93.612
flat angles C4'-P-C4' energy: -118.305
flat angles P-C4'-P energy: -73.960
tors. eta vs tors. theta energy: -128.979
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: 3
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -1705.005142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1705.005142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1705.005142 (E_RNA)
where:
Base-Base interactions energy: -1209.452
where: short stacking energy: -495.196
Base-Backbone interact. energy: -2.064
local terms energy: -493.489434
where:
bonds (distance) C4'-P energy: -89.803
bonds (distance) P-C4' energy: -99.862
flat angles C4'-P-C4' energy: -100.952
flat angles P-C4'-P energy: -72.469
tors. eta vs tors. theta energy: -130.404
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: 7
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -1590.300692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1590.300692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1590.300692 (E_RNA)
where:
Base-Base interactions energy: -1092.844
where: short stacking energy: -447.515
Base-Backbone interact. energy: -3.566
local terms energy: -493.890220
where:
bonds (distance) C4'-P energy: -93.122
bonds (distance) P-C4' energy: -95.043
flat angles C4'-P-C4' energy: -112.721
flat angles P-C4'-P energy: -86.231
tors. eta vs tors. theta energy: -106.773
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: 491
Temperature: 1.150000
Total energy: -1618.152143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.152143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.152143 (E_RNA)
where:
Base-Base interactions energy: -1150.404
where: short stacking energy: -458.194
Base-Backbone interact. energy: -2.235
local terms energy: -465.513426
where:
bonds (distance) C4'-P energy: -89.719
bonds (distance) P-C4' energy: -82.747
flat angles C4'-P-C4' energy: -108.071
flat angles P-C4'-P energy: -66.114
tors. eta vs tors. theta energy: -118.863
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: 9
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -1447.500346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1447.500346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1447.500346 (E_RNA)
where:
Base-Base interactions energy: -989.939
where: short stacking energy: -392.400
Base-Backbone interact. energy: -0.918
local terms energy: -456.643468
where:
bonds (distance) C4'-P energy: -78.984
bonds (distance) P-C4' energy: -98.026
flat angles C4'-P-C4' energy: -105.869
flat angles P-C4'-P energy: -67.891
tors. eta vs tors. theta energy: -105.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -1290.683760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1290.683760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1290.683760 (E_RNA)
where:
Base-Base interactions energy: -877.204
where: short stacking energy: -343.390
Base-Backbone interact. energy: -0.577
local terms energy: -412.902592
where:
bonds (distance) C4'-P energy: -90.106
bonds (distance) P-C4' energy: -94.237
flat angles C4'-P-C4' energy: -93.455
flat angles P-C4'-P energy: -55.428
tors. eta vs tors. theta energy: -79.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -1183.152707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1183.152707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1183.152707 (E_RNA)
where:
Base-Base interactions energy: -805.451
where: short stacking energy: -343.983
Base-Backbone interact. energy: -0.767
local terms energy: -376.934415
where:
bonds (distance) C4'-P energy: -87.084
bonds (distance) P-C4' energy: -76.627
flat angles C4'-P-C4' energy: -102.935
flat angles P-C4'-P energy: -45.883
tors. eta vs tors. theta energy: -64.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -842.804448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -842.804448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -842.804448 (E_RNA)
where:
Base-Base interactions energy: -485.006
where: short stacking energy: -211.003
Base-Backbone interact. energy: 3.178
local terms energy: -360.976183
where:
bonds (distance) C4'-P energy: -101.169
bonds (distance) P-C4' energy: -93.028
flat angles C4'-P-C4' energy: -93.078
flat angles P-C4'-P energy: -64.991
tors. eta vs tors. theta energy: -8.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -1979.477801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1979.477801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1979.477801 (E_RNA)
where:
Base-Base interactions energy: -1401.371
where: short stacking energy: -575.318
Base-Backbone interact. energy: -4.565
local terms energy: -573.542246
where:
bonds (distance) C4'-P energy: -101.643
bonds (distance) P-C4' energy: -104.389
flat angles C4'-P-C4' energy: -120.123
flat angles P-C4'-P energy: -79.934
tors. eta vs tors. theta energy: -167.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -1825.947932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1825.947932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1825.947932 (E_RNA)
where:
Base-Base interactions energy: -1287.310
where: short stacking energy: -561.641
Base-Backbone interact. energy: -1.673
local terms energy: -536.965327
where:
bonds (distance) C4'-P energy: -91.712
bonds (distance) P-C4' energy: -98.036
flat angles C4'-P-C4' energy: -112.335
flat angles P-C4'-P energy: -80.734
tors. eta vs tors. theta energy: -154.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -1832.778024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1832.778024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1832.778024 (E_RNA)
where:
Base-Base interactions energy: -1325.406
where: short stacking energy: -504.323
Base-Backbone interact. energy: -1.043
local terms energy: -506.329229
where:
bonds (distance) C4'-P energy: -85.751
bonds (distance) P-C4' energy: -98.318
flat angles C4'-P-C4' energy: -108.391
flat angles P-C4'-P energy: -75.184
tors. eta vs tors. theta energy: -138.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -1740.054119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1740.054119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1740.054119 (E_RNA)
where:
Base-Base interactions energy: -1234.690
where: short stacking energy: -527.128
Base-Backbone interact. energy: -2.789
local terms energy: -502.575540
where:
bonds (distance) C4'-P energy: -86.695
bonds (distance) P-C4' energy: -96.056
flat angles C4'-P-C4' energy: -112.673
flat angles P-C4'-P energy: -66.422
tors. eta vs tors. theta energy: -140.730
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: 5, replica: 7
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -1618.880139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1618.880139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1618.880139 (E_RNA)
where:
Base-Base interactions energy: -1146.223
where: short stacking energy: -482.626
Base-Backbone interact. energy: -1.204
local terms energy: -471.453139
where:
bonds (distance) C4'-P energy: -84.749
bonds (distance) P-C4' energy: -93.580
flat angles C4'-P-C4' energy: -104.087
flat angles P-C4'-P energy: -74.443
tors. eta vs tors. theta energy: -114.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -1640.270882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1640.270882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1640.270882 (E_RNA)
where:
Base-Base interactions energy: -1156.464
where: short stacking energy: -461.607
Base-Backbone interact. energy: -1.673
local terms energy: -482.134176
where:
bonds (distance) C4'-P energy: -87.369
bonds (distance) P-C4' energy: -95.103
flat angles C4'-P-C4' energy: -101.984
flat angles P-C4'-P energy: -60.123
tors. eta vs tors. theta energy: -137.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -1464.854931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1464.854931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1464.854931 (E_RNA)
where:
Base-Base interactions energy: -1019.832
where: short stacking energy: -428.774
Base-Backbone interact. energy: 1.477
local terms energy: -446.499976
where:
bonds (distance) C4'-P energy: -83.111
bonds (distance) P-C4' energy: -89.383
flat angles C4'-P-C4' energy: -101.531
flat angles P-C4'-P energy: -61.425
tors. eta vs tors. theta energy: -111.051
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: 492
Temperature: 1.250000
Total energy: -1313.418598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1313.418598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1313.418598 (E_RNA)
where:
Base-Base interactions energy: -880.236
where: short stacking energy: -361.360
Base-Backbone interact. energy: -2.653
local terms energy: -430.529255
where:
bonds (distance) C4'-P energy: -95.356
bonds (distance) P-C4' energy: -105.044
flat angles C4'-P-C4' energy: -93.060
flat angles P-C4'-P energy: -60.946
tors. eta vs tors. theta energy: -76.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -1161.209170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1161.209170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1161.209170 (E_RNA)
where:
Base-Base interactions energy: -768.445
where: short stacking energy: -343.307
Base-Backbone interact. energy: 2.419
local terms energy: -395.183248
where:
bonds (distance) C4'-P energy: -71.927
bonds (distance) P-C4' energy: -89.668
flat angles C4'-P-C4' energy: -81.288
flat angles P-C4'-P energy: -71.180
tors. eta vs tors. theta energy: -81.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -865.346253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -865.346253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -865.346253 (E_RNA)
where:
Base-Base interactions energy: -538.202
where: short stacking energy: -257.826
Base-Backbone interact. energy: -4.213
local terms energy: -322.931266
where:
bonds (distance) C4'-P energy: -86.648
bonds (distance) P-C4' energy: -81.416
flat angles C4'-P-C4' energy: -78.359
flat angles P-C4'-P energy: -46.046
tors. eta vs tors. theta energy: -30.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -1987.020201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1987.020201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1987.020201 (E_RNA)
where:
Base-Base interactions energy: -1420.574
where: short stacking energy: -562.400
Base-Backbone interact. energy: 0.418
local terms energy: -566.864412
where:
bonds (distance) C4'-P energy: -99.576
bonds (distance) P-C4' energy: -100.371
flat angles C4'-P-C4' energy: -121.234
flat angles P-C4'-P energy: -86.015
tors. eta vs tors. theta energy: -159.669
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: 1
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -1888.057798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1888.057798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1888.057798 (E_RNA)
where:
Base-Base interactions energy: -1372.287
where: short stacking energy: -558.655
Base-Backbone interact. energy: -1.341
local terms energy: -514.429413
where:
bonds (distance) C4'-P energy: -104.995
bonds (distance) P-C4' energy: -80.996
flat angles C4'-P-C4' energy: -112.658
flat angles P-C4'-P energy: -74.604
tors. eta vs tors. theta energy: -141.176
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: 8
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -1801.677273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1801.677273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1801.677273 (E_RNA)
where:
Base-Base interactions energy: -1266.444
where: short stacking energy: -525.810
Base-Backbone interact. energy: -3.428
local terms energy: -531.804852
where:
bonds (distance) C4'-P energy: -97.719
bonds (distance) P-C4' energy: -92.742
flat angles C4'-P-C4' energy: -115.554
flat angles P-C4'-P energy: -79.140
tors. eta vs tors. theta energy: -146.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -1713.885504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1713.885504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1713.885504 (E_RNA)
where:
Base-Base interactions energy: -1199.269
where: short stacking energy: -504.761
Base-Backbone interact. energy: -2.115
local terms energy: -512.502295
where:
bonds (distance) C4'-P energy: -97.280
bonds (distance) P-C4' energy: -89.318
flat angles C4'-P-C4' energy: -106.028
flat angles P-C4'-P energy: -77.195
tors. eta vs tors. theta energy: -142.682
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: 7
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -1578.896700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1578.896700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1578.896700 (E_RNA)
where:
Base-Base interactions energy: -1108.450
where: short stacking energy: -454.878
Base-Backbone interact. energy: -0.774
local terms energy: -469.673151
where:
bonds (distance) C4'-P energy: -97.158
bonds (distance) P-C4' energy: -94.855
flat angles C4'-P-C4' energy: -100.973
flat angles P-C4'-P energy: -70.653
tors. eta vs tors. theta energy: -106.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -1626.684972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1626.684972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1626.684972 (E_RNA)
where:
Base-Base interactions energy: -1141.955
where: short stacking energy: -471.903
Base-Backbone interact. energy: 1.129
local terms energy: -485.859291
where:
bonds (distance) C4'-P energy: -88.519
bonds (distance) P-C4' energy: -90.563
flat angles C4'-P-C4' energy: -106.192
flat angles P-C4'-P energy: -72.234
tors. eta vs tors. theta energy: -128.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -1428.513942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1428.513942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1428.513942 (E_RNA)
where:
Base-Base interactions energy: -1013.078
where: short stacking energy: -430.419
Base-Backbone interact. energy: -0.317
local terms energy: -415.119506
where:
bonds (distance) C4'-P energy: -73.196
bonds (distance) P-C4' energy: -85.332
flat angles C4'-P-C4' energy: -96.216
flat angles P-C4'-P energy: -57.742
tors. eta vs tors. theta energy: -102.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -1256.109937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1256.109937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1256.109937 (E_RNA)
where:
Base-Base interactions energy: -870.992
where: short stacking energy: -387.506
Base-Backbone interact. energy: 2.523
local terms energy: -387.641051
where:
bonds (distance) C4'-P energy: -79.683
bonds (distance) P-C4' energy: -74.098
flat angles C4'-P-C4' energy: -84.712
flat angles P-C4'-P energy: -70.041
tors. eta vs tors. theta energy: -79.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -1145.696702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1145.696702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1145.696702 (E_RNA)
where:
Base-Base interactions energy: -765.727
where: short stacking energy: -318.856
Base-Backbone interact. energy: 0.074
local terms energy: -380.043382
where:
bonds (distance) C4'-P energy: -89.930
bonds (distance) P-C4' energy: -100.642
flat angles C4'-P-C4' energy: -80.299
flat angles P-C4'-P energy: -41.237
tors. eta vs tors. theta energy: -67.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -892.911739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -892.911739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -892.911739 (E_RNA)
where:
Base-Base interactions energy: -532.361
where: short stacking energy: -251.711
Base-Backbone interact. energy: -0.533
local terms energy: -360.018123
where:
bonds (distance) C4'-P energy: -101.068
bonds (distance) P-C4' energy: -86.842
flat angles C4'-P-C4' energy: -79.348
flat angles P-C4'-P energy: -47.944
tors. eta vs tors. theta energy: -44.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -1982.647034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1982.647034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1982.647034 (E_RNA)
where:
Base-Base interactions energy: -1399.602
where: short stacking energy: -557.780
Base-Backbone interact. energy: -5.308
local terms energy: -577.736670
where:
bonds (distance) C4'-P energy: -102.613
bonds (distance) P-C4' energy: -107.092
flat angles C4'-P-C4' energy: -120.707
flat angles P-C4'-P energy: -80.762
tors. eta vs tors. theta energy: -166.563
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: 1
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -1880.570881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1880.570881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1880.570881 (E_RNA)
where:
Base-Base interactions energy: -1338.113
where: short stacking energy: -540.058
Base-Backbone interact. energy: 1.750
local terms energy: -544.207910
where:
bonds (distance) C4'-P energy: -97.373
bonds (distance) P-C4' energy: -95.708
flat angles C4'-P-C4' energy: -116.164
flat angles P-C4'-P energy: -81.117
tors. eta vs tors. theta energy: -153.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -1803.297762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1803.297762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1803.297762 (E_RNA)
where:
Base-Base interactions energy: -1265.079
where: short stacking energy: -540.664
Base-Backbone interact. energy: 1.895
local terms energy: -540.114360
where:
bonds (distance) C4'-P energy: -103.653
bonds (distance) P-C4' energy: -93.641
flat angles C4'-P-C4' energy: -122.884
flat angles P-C4'-P energy: -69.480
tors. eta vs tors. theta energy: -150.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -1676.428625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1676.428625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1676.428625 (E_RNA)
where:
Base-Base interactions energy: -1187.165
where: short stacking energy: -515.959
Base-Backbone interact. energy: -2.372
local terms energy: -486.891988
where:
bonds (distance) C4'-P energy: -83.920
bonds (distance) P-C4' energy: -95.181
flat angles C4'-P-C4' energy: -103.459
flat angles P-C4'-P energy: -66.215
tors. eta vs tors. theta energy: -138.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -1648.397833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1648.397833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1648.397833 (E_RNA)
where:
Base-Base interactions energy: -1162.240
where: short stacking energy: -474.087
Base-Backbone interact. energy: -0.254
local terms energy: -485.903284
where:
bonds (distance) C4'-P energy: -94.758
bonds (distance) P-C4' energy: -91.695
flat angles C4'-P-C4' energy: -105.788
flat angles P-C4'-P energy: -67.137
tors. eta vs tors. theta energy: -126.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -1551.626772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1551.626772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1551.626772 (E_RNA)
where:
Base-Base interactions energy: -1095.316
where: short stacking energy: -447.266
Base-Backbone interact. energy: 6.074
local terms energy: -462.384647
where:
bonds (distance) C4'-P energy: -84.770
bonds (distance) P-C4' energy: -104.676
flat angles C4'-P-C4' energy: -105.109
flat angles P-C4'-P energy: -62.693
tors. eta vs tors. theta energy: -105.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -1443.207189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1443.207189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1443.207189 (E_RNA)
where:
Base-Base interactions energy: -968.041
where: short stacking energy: -416.083
Base-Backbone interact. energy: 2.275
local terms energy: -477.441226
where:
bonds (distance) C4'-P energy: -77.354
bonds (distance) P-C4' energy: -105.657
flat angles C4'-P-C4' energy: -105.202
flat angles P-C4'-P energy: -79.179
tors. eta vs tors. theta energy: -110.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -1197.723233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1197.723233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1197.723233 (E_RNA)
where:
Base-Base interactions energy: -823.209
where: short stacking energy: -346.669
Base-Backbone interact. energy: -1.649
local terms energy: -372.865585
where:
bonds (distance) C4'-P energy: -65.383
bonds (distance) P-C4' energy: -82.181
flat angles C4'-P-C4' energy: -96.302
flat angles P-C4'-P energy: -57.923
tors. eta vs tors. theta energy: -71.077
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: 5
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -1143.507350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1143.507350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1143.507350 (E_RNA)
where:
Base-Base interactions energy: -801.119
where: short stacking energy: -351.738
Base-Backbone interact. energy: -1.223
local terms energy: -341.165677
where:
bonds (distance) C4'-P energy: -74.597
bonds (distance) P-C4' energy: -74.559
flat angles C4'-P-C4' energy: -88.452
flat angles P-C4'-P energy: -34.932
tors. eta vs tors. theta energy: -68.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -836.011417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -836.011417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -836.011417 (E_RNA)
where:
Base-Base interactions energy: -479.358
where: short stacking energy: -233.761
Base-Backbone interact. energy: -1.346
local terms energy: -355.307219
where:
bonds (distance) C4'-P energy: -85.317
bonds (distance) P-C4' energy: -98.522
flat angles C4'-P-C4' energy: -89.584
flat angles P-C4'-P energy: -43.354
tors. eta vs tors. theta energy: -38.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -1977.629425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1977.629425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1977.629425 (E_RNA)
where:
Base-Base interactions energy: -1409.367
where: short stacking energy: -554.209
Base-Backbone interact. energy: -1.383
local terms energy: -566.878947
where:
bonds (distance) C4'-P energy: -102.921
bonds (distance) P-C4' energy: -112.098
flat angles C4'-P-C4' energy: -105.410
flat angles P-C4'-P energy: -86.926
tors. eta vs tors. theta energy: -159.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -1878.273803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1878.273803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1878.273803 (E_RNA)
where:
Base-Base interactions energy: -1344.545
where: short stacking energy: -505.618
Base-Backbone interact. energy: 0.761
local terms energy: -534.490468
where:
bonds (distance) C4'-P energy: -92.412
bonds (distance) P-C4' energy: -103.010
flat angles C4'-P-C4' energy: -111.915
flat angles P-C4'-P energy: -72.440
tors. eta vs tors. theta energy: -154.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -1768.118753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1768.118753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1768.118753 (E_RNA)
where:
Base-Base interactions energy: -1253.651
where: short stacking energy: -507.012
Base-Backbone interact. energy: 0.609
local terms energy: -515.076744
where:
bonds (distance) C4'-P energy: -87.113
bonds (distance) P-C4' energy: -100.502
flat angles C4'-P-C4' energy: -115.435
flat angles P-C4'-P energy: -77.991
tors. eta vs tors. theta energy: -134.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -1661.780983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1661.780983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1661.780983 (E_RNA)
where:
Base-Base interactions energy: -1145.482
where: short stacking energy: -469.701
Base-Backbone interact. energy: -2.594
local terms energy: -513.705094
where:
bonds (distance) C4'-P energy: -100.441
bonds (distance) P-C4' energy: -89.027
flat angles C4'-P-C4' energy: -112.405
flat angles P-C4'-P energy: -81.498
tors. eta vs tors. theta energy: -130.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -1628.328045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1628.328045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1628.328045 (E_RNA)
where:
Base-Base interactions energy: -1141.565
where: short stacking energy: -473.165
Base-Backbone interact. energy: -2.168
local terms energy: -484.594741
where:
bonds (distance) C4'-P energy: -88.531
bonds (distance) P-C4' energy: -88.182
flat angles C4'-P-C4' energy: -117.496
flat angles P-C4'-P energy: -64.928
tors. eta vs tors. theta energy: -125.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -1512.289567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1512.289567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1512.289567 (E_RNA)
where:
Base-Base interactions energy: -1061.459
where: short stacking energy: -476.792
Base-Backbone interact. energy: -1.569
local terms energy: -449.261866
where:
bonds (distance) C4'-P energy: -74.603
bonds (distance) P-C4' energy: -95.008
flat angles C4'-P-C4' energy: -97.023
flat angles P-C4'-P energy: -63.685
tors. eta vs tors. theta energy: -118.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -1410.127170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1410.127170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1410.127170 (E_RNA)
where:
Base-Base interactions energy: -988.372
where: short stacking energy: -415.794
Base-Backbone interact. energy: -1.823
local terms energy: -419.931211
where:
bonds (distance) C4'-P energy: -72.429
bonds (distance) P-C4' energy: -89.156
flat angles C4'-P-C4' energy: -101.398
flat angles P-C4'-P energy: -58.356
tors. eta vs tors. theta energy: -98.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -1241.669969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1241.669969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1241.669969 (E_RNA)
where:
Base-Base interactions energy: -873.142
where: short stacking energy: -363.604
Base-Backbone interact. energy: 0.744
local terms energy: -369.271432
where:
bonds (distance) C4'-P energy: -79.722
bonds (distance) P-C4' energy: -70.315
flat angles C4'-P-C4' energy: -93.699
flat angles P-C4'-P energy: -44.323
tors. eta vs tors. theta energy: -81.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -1210.325154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1210.325154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1210.325154 (E_RNA)
where:
Base-Base interactions energy: -854.828
where: short stacking energy: -348.358
Base-Backbone interact. energy: -2.499
local terms energy: -352.997810
where:
bonds (distance) C4'-P energy: -81.103
bonds (distance) P-C4' energy: -60.868
flat angles C4'-P-C4' energy: -89.590
flat angles P-C4'-P energy: -47.291
tors. eta vs tors. theta energy: -74.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -831.348999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -831.348999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -831.348999 (E_RNA)
where:
Base-Base interactions energy: -505.330
where: short stacking energy: -235.098
Base-Backbone interact. energy: 1.921
local terms energy: -327.940115
where:
bonds (distance) C4'-P energy: -72.842
bonds (distance) P-C4' energy: -95.741
flat angles C4'-P-C4' energy: -79.303
flat angles P-C4'-P energy: -40.879
tors. eta vs tors. theta energy: -39.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -1976.004943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1976.004943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1976.004943 (E_RNA)
where:
Base-Base interactions energy: -1409.110
where: short stacking energy: -547.311
Base-Backbone interact. energy: -3.520
local terms energy: -563.374984
where:
bonds (distance) C4'-P energy: -109.771
bonds (distance) P-C4' energy: -104.643
flat angles C4'-P-C4' energy: -110.823
flat angles P-C4'-P energy: -80.016
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: 1
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -1889.673861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1889.673861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1889.673861 (E_RNA)
where:
Base-Base interactions energy: -1353.521
where: short stacking energy: -535.500
Base-Backbone interact. energy: 1.555
local terms energy: -537.707790
where:
bonds (distance) C4'-P energy: -97.988
bonds (distance) P-C4' energy: -107.978
flat angles C4'-P-C4' energy: -119.722
flat angles P-C4'-P energy: -68.633
tors. eta vs tors. theta energy: -143.387
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: 8
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -1785.035241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1785.035241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1785.035241 (E_RNA)
where:
Base-Base interactions energy: -1268.939
where: short stacking energy: -514.292
Base-Backbone interact. energy: -2.587
local terms energy: -513.509804
where:
bonds (distance) C4'-P energy: -102.447
bonds (distance) P-C4' energy: -97.148
flat angles C4'-P-C4' energy: -109.009
flat angles P-C4'-P energy: -67.183
tors. eta vs tors. theta energy: -137.723
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: 4, replica: 3
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -1687.356842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1687.356842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1687.356842 (E_RNA)
where:
Base-Base interactions energy: -1177.671
where: short stacking energy: -478.351
Base-Backbone interact. energy: -1.086
local terms energy: -508.599596
where:
bonds (distance) C4'-P energy: -94.311
bonds (distance) P-C4' energy: -108.966
flat angles C4'-P-C4' energy: -109.975
flat angles P-C4'-P energy: -76.882
tors. eta vs tors. theta energy: -118.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -1508.529611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.529611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.529611 (E_RNA)
where:
Base-Base interactions energy: -1040.836
where: short stacking energy: -449.616
Base-Backbone interact. energy: 0.094
local terms energy: -467.787406
where:
bonds (distance) C4'-P energy: -93.141
bonds (distance) P-C4' energy: -81.587
flat angles C4'-P-C4' energy: -113.784
flat angles P-C4'-P energy: -62.702
tors. eta vs tors. theta energy: -116.574
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: 6, replica: 4
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -1569.746001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1569.746001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1569.746001 (E_RNA)
where:
Base-Base interactions energy: -1096.145
where: short stacking energy: -439.967
Base-Backbone interact. energy: -0.642
local terms energy: -472.959586
where:
bonds (distance) C4'-P energy: -73.594
bonds (distance) P-C4' energy: -104.650
flat angles C4'-P-C4' energy: -108.669
flat angles P-C4'-P energy: -71.828
tors. eta vs tors. theta energy: -114.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -1472.140146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1472.140146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1472.140146 (E_RNA)
where:
Base-Base interactions energy: -1028.494
where: short stacking energy: -422.346
Base-Backbone interact. energy: -1.462
local terms energy: -442.183373
where:
bonds (distance) C4'-P energy: -89.693
bonds (distance) P-C4' energy: -79.799
flat angles C4'-P-C4' energy: -105.326
flat angles P-C4'-P energy: -61.808
tors. eta vs tors. theta energy: -105.558
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: 5
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -1222.926399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1222.926399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1222.926399 (E_RNA)
where:
Base-Base interactions energy: -806.385
where: short stacking energy: -350.596
Base-Backbone interact. energy: -4.248
local terms energy: -412.293323
where:
bonds (distance) C4'-P energy: -87.637
bonds (distance) P-C4' energy: -78.878
flat angles C4'-P-C4' energy: -101.578
flat angles P-C4'-P energy: -63.721
tors. eta vs tors. theta energy: -80.479
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: 6
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -1211.270970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1211.270970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1211.270970 (E_RNA)
where:
Base-Base interactions energy: -838.146
where: short stacking energy: -349.882
Base-Backbone interact. energy: -2.091
local terms energy: -371.033741
where:
bonds (distance) C4'-P energy: -78.755
bonds (distance) P-C4' energy: -78.530
flat angles C4'-P-C4' energy: -98.305
flat angles P-C4'-P energy: -51.753
tors. eta vs tors. theta energy: -63.690
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: 10
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -829.269245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -829.269245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -829.269245 (E_RNA)
where:
Base-Base interactions energy: -511.764
where: short stacking energy: -234.214
Base-Backbone interact. energy: -1.227
local terms energy: -316.278277
where:
bonds (distance) C4'-P energy: -79.185
bonds (distance) P-C4' energy: -79.016
flat angles C4'-P-C4' energy: -83.970
flat angles P-C4'-P energy: -51.312
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -1971.848913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1971.848913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1971.848913 (E_RNA)
where:
Base-Base interactions energy: -1411.325
where: short stacking energy: -555.797
Base-Backbone interact. energy: -2.808
local terms energy: -557.715549
where:
bonds (distance) C4'-P energy: -96.472
bonds (distance) P-C4' energy: -99.822
flat angles C4'-P-C4' energy: -119.045
flat angles P-C4'-P energy: -82.464
tors. eta vs tors. theta energy: -159.912
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: 2, replica: 1
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -1884.846541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1884.846541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1884.846541 (E_RNA)
where:
Base-Base interactions energy: -1351.232
where: short stacking energy: -531.792
Base-Backbone interact. energy: -1.295
local terms energy: -532.319658
where:
bonds (distance) C4'-P energy: -102.413
bonds (distance) P-C4' energy: -99.622
flat angles C4'-P-C4' energy: -108.202
flat angles P-C4'-P energy: -74.957
tors. eta vs tors. theta energy: -147.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -1824.874336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1824.874336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1824.874336 (E_RNA)
where:
Base-Base interactions energy: -1290.248
where: short stacking energy: -540.984
Base-Backbone interact. energy: -2.865
local terms energy: -531.761254
where:
bonds (distance) C4'-P energy: -100.732
bonds (distance) P-C4' energy: -101.970
flat angles C4'-P-C4' energy: -115.072
flat angles P-C4'-P energy: -70.176
tors. eta vs tors. theta energy: -143.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -1724.330492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1724.330492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1724.330492 (E_RNA)
where:
Base-Base interactions energy: -1227.271
where: short stacking energy: -480.858
Base-Backbone interact. energy: -3.003
local terms energy: -494.056083
where:
bonds (distance) C4'-P energy: -85.467
bonds (distance) P-C4' energy: -93.967
flat angles C4'-P-C4' energy: -104.329
flat angles P-C4'-P energy: -69.946
tors. eta vs tors. theta energy: -140.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -1522.164908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1522.164908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1522.164908 (E_RNA)
where:
Base-Base interactions energy: -1049.895
where: short stacking energy: -451.077
Base-Backbone interact. energy: -0.747
local terms energy: -471.522960
where:
bonds (distance) C4'-P energy: -86.182
bonds (distance) P-C4' energy: -100.183
flat angles C4'-P-C4' energy: -97.722
flat angles P-C4'-P energy: -74.887
tors. eta vs tors. theta energy: -112.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -1485.025398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1485.025398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1485.025398 (E_RNA)
where:
Base-Base interactions energy: -1022.132
where: short stacking energy: -420.267
Base-Backbone interact. energy: -0.879
local terms energy: -462.014446
where:
bonds (distance) C4'-P energy: -92.209
bonds (distance) P-C4' energy: -86.914
flat angles C4'-P-C4' energy: -108.995
flat angles P-C4'-P energy: -69.714
tors. eta vs tors. theta energy: -104.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -1536.826317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1536.826317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1536.826317 (E_RNA)
where:
Base-Base interactions energy: -1068.676
where: short stacking energy: -421.412
Base-Backbone interact. energy: -0.094
local terms energy: -468.056380
where:
bonds (distance) C4'-P energy: -83.674
bonds (distance) P-C4' energy: -103.259
flat angles C4'-P-C4' energy: -96.982
flat angles P-C4'-P energy: -70.318
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: 8, replica: 5
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -1227.422249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1227.422249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1227.422249 (E_RNA)
where:
Base-Base interactions energy: -815.570
where: short stacking energy: -355.863
Base-Backbone interact. energy: 1.790
local terms energy: -413.641738
where:
bonds (distance) C4'-P energy: -87.069
bonds (distance) P-C4' energy: -90.675
flat angles C4'-P-C4' energy: -98.629
flat angles P-C4'-P energy: -56.390
tors. eta vs tors. theta energy: -80.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -1184.039996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1184.039996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1184.039996 (E_RNA)
where:
Base-Base interactions energy: -784.691
where: short stacking energy: -335.912
Base-Backbone interact. energy: -2.997
local terms energy: -396.352314
where:
bonds (distance) C4'-P energy: -88.634
bonds (distance) P-C4' energy: -79.832
flat angles C4'-P-C4' energy: -96.181
flat angles P-C4'-P energy: -48.828
tors. eta vs tors. theta energy: -82.878
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: 10, replica: 10
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -828.726744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -828.726744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -828.726744 (E_RNA)
where:
Base-Base interactions energy: -512.386
where: short stacking energy: -258.695
Base-Backbone interact. energy: -4.033
local terms energy: -312.308010
where:
bonds (distance) C4'-P energy: -88.374
bonds (distance) P-C4' energy: -78.432
flat angles C4'-P-C4' energy: -68.068
flat angles P-C4'-P energy: -45.365
tors. eta vs tors. theta energy: -32.069
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: 2
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -1956.971384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1956.971384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1956.971384 (E_RNA)
where:
Base-Base interactions energy: -1418.824
where: short stacking energy: -555.709
Base-Backbone interact. energy: -0.206
local terms energy: -537.941645
where:
bonds (distance) C4'-P energy: -94.920
bonds (distance) P-C4' energy: -84.329
flat angles C4'-P-C4' energy: -128.875
flat angles P-C4'-P energy: -77.806
tors. eta vs tors. theta energy: -152.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -1887.840756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1887.840756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1887.840756 (E_RNA)
where:
Base-Base interactions energy: -1345.118
where: short stacking energy: -513.037
Base-Backbone interact. energy: -0.080
local terms energy: -542.642075
where:
bonds (distance) C4'-P energy: -99.389
bonds (distance) P-C4' energy: -103.912
flat angles C4'-P-C4' energy: -110.028
flat angles P-C4'-P energy: -81.302
tors. eta vs tors. theta energy: -148.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -1783.300331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1783.300331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1783.300331 (E_RNA)
where:
Base-Base interactions energy: -1258.785
where: short stacking energy: -520.439
Base-Backbone interact. energy: -2.837
local terms energy: -521.678660
where:
bonds (distance) C4'-P energy: -95.151
bonds (distance) P-C4' energy: -93.777
flat angles C4'-P-C4' energy: -108.499
flat angles P-C4'-P energy: -79.198
tors. eta vs tors. theta energy: -145.054
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: 4, replica: 3
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -1718.503851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1718.503851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1718.503851 (E_RNA)
where:
Base-Base interactions energy: -1185.534
where: short stacking energy: -500.135
Base-Backbone interact. energy: 0.278
local terms energy: -533.247944
where:
bonds (distance) C4'-P energy: -92.214
bonds (distance) P-C4' energy: -112.134
flat angles C4'-P-C4' energy: -113.714
flat angles P-C4'-P energy: -76.613
tors. eta vs tors. theta energy: -138.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -1535.383168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1535.383168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1535.383168 (E_RNA)
where:
Base-Base interactions energy: -1059.797
where: short stacking energy: -413.200
Base-Backbone interact. energy: -0.621
local terms energy: -474.965258
where:
bonds (distance) C4'-P energy: -95.898
bonds (distance) P-C4' energy: -96.934
flat angles C4'-P-C4' energy: -101.622
flat angles P-C4'-P energy: -78.957
tors. eta vs tors. theta energy: -101.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -1488.469299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.469299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.469299 (E_RNA)
where:
Base-Base interactions energy: -1027.736
where: short stacking energy: -438.830
Base-Backbone interact. energy: 4.848
local terms energy: -465.581247
where:
bonds (distance) C4'-P energy: -88.064
bonds (distance) P-C4' energy: -77.789
flat angles C4'-P-C4' energy: -97.467
flat angles P-C4'-P energy: -70.069
tors. eta vs tors. theta energy: -132.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -1565.574840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1565.574840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1565.574840 (E_RNA)
where:
Base-Base interactions energy: -1122.091
where: short stacking energy: -469.945
Base-Backbone interact. energy: -2.299
local terms energy: -441.184883
where:
bonds (distance) C4'-P energy: -82.566
bonds (distance) P-C4' energy: -75.957
flat angles C4'-P-C4' energy: -99.331
flat angles P-C4'-P energy: -61.658
tors. eta vs tors. theta energy: -121.672
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: 5
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -1232.513456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1232.513456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1232.513456 (E_RNA)
where:
Base-Base interactions energy: -812.550
where: short stacking energy: -354.904
Base-Backbone interact. energy: -1.701
local terms energy: -418.261928
where:
bonds (distance) C4'-P energy: -85.111
bonds (distance) P-C4' energy: -91.632
flat angles C4'-P-C4' energy: -103.438
flat angles P-C4'-P energy: -57.601
tors. eta vs tors. theta energy: -80.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -1190.686072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1190.686072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1190.686072 (E_RNA)
where:
Base-Base interactions energy: -807.769
where: short stacking energy: -316.886
Base-Backbone interact. energy: 0.960
local terms energy: -383.877269
where:
bonds (distance) C4'-P energy: -75.088
bonds (distance) P-C4' energy: -90.232
flat angles C4'-P-C4' energy: -81.585
flat angles P-C4'-P energy: -59.671
tors. eta vs tors. theta energy: -77.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -824.255927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -824.255927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -824.255927 (E_RNA)
where:
Base-Base interactions energy: -526.621
where: short stacking energy: -246.876
Base-Backbone interact. energy: 8.118
local terms energy: -305.753493
where:
bonds (distance) C4'-P energy: -66.955
bonds (distance) P-C4' energy: -76.758
flat angles C4'-P-C4' energy: -74.659
flat angles P-C4'-P energy: -52.328
tors. eta vs tors. theta energy: -35.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -1943.258018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1943.258018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1943.258018 (E_RNA)
where:
Base-Base interactions energy: -1381.622
where: short stacking energy: -555.127
Base-Backbone interact. energy: -2.024
local terms energy: -559.612337
where:
bonds (distance) C4'-P energy: -100.117
bonds (distance) P-C4' energy: -106.431
flat angles C4'-P-C4' energy: -118.625
flat angles P-C4'-P energy: -76.104
tors. eta vs tors. theta energy: -158.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -1917.432148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1917.432148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1917.432148 (E_RNA)
where:
Base-Base interactions energy: -1383.035
where: short stacking energy: -525.185
Base-Backbone interact. energy: 5.241
local terms energy: -539.638236
where:
bonds (distance) C4'-P energy: -89.669
bonds (distance) P-C4' energy: -105.159
flat angles C4'-P-C4' energy: -122.942
flat angles P-C4'-P energy: -79.582
tors. eta vs tors. theta energy: -142.287
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: 8
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -1854.466616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1854.466616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1854.466616 (E_RNA)
where:
Base-Base interactions energy: -1330.531
where: short stacking energy: -521.938
Base-Backbone interact. energy: 0.722
local terms energy: -524.656985
where:
bonds (distance) C4'-P energy: -94.444
bonds (distance) P-C4' energy: -97.518
flat angles C4'-P-C4' energy: -110.681
flat angles P-C4'-P energy: -73.729
tors. eta vs tors. theta energy: -148.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -1708.620890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.620890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.620890 (E_RNA)
where:
Base-Base interactions energy: -1203.755
where: short stacking energy: -502.161
Base-Backbone interact. energy: -5.440
local terms energy: -499.425656
where:
bonds (distance) C4'-P energy: -88.901
bonds (distance) P-C4' energy: -94.359
flat angles C4'-P-C4' energy: -96.743
flat angles P-C4'-P energy: -79.713
tors. eta vs tors. theta energy: -139.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -1550.978662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1550.978662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1550.978662 (E_RNA)
where:
Base-Base interactions energy: -1092.809
where: short stacking energy: -472.826
Base-Backbone interact. energy: 0.269
local terms energy: -458.438695
where:
bonds (distance) C4'-P energy: -66.448
bonds (distance) P-C4' energy: -106.323
flat angles C4'-P-C4' energy: -115.852
flat angles P-C4'-P energy: -56.194
tors. eta vs tors. theta energy: -113.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -1511.017756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1511.017756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1511.017756 (E_RNA)
where:
Base-Base interactions energy: -1046.983
where: short stacking energy: -446.749
Base-Backbone interact. energy: -0.328
local terms energy: -463.706690
where:
bonds (distance) C4'-P energy: -90.604
bonds (distance) P-C4' energy: -99.157
flat angles C4'-P-C4' energy: -97.850
flat angles P-C4'-P energy: -56.818
tors. eta vs tors. theta energy: -119.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -1532.568645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1532.568645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1532.568645 (E_RNA)
where:
Base-Base interactions energy: -1124.499
where: short stacking energy: -439.254
Base-Backbone interact. energy: 7.343
local terms energy: -415.413397
where:
bonds (distance) C4'-P energy: -75.091
bonds (distance) P-C4' energy: -82.746
flat angles C4'-P-C4' energy: -93.021
flat angles P-C4'-P energy: -58.025
tors. eta vs tors. theta energy: -106.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -1195.374196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1195.374196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1195.374196 (E_RNA)
where:
Base-Base interactions energy: -824.009
where: short stacking energy: -344.538
Base-Backbone interact. energy: 1.251
local terms energy: -372.615650
where:
bonds (distance) C4'-P energy: -80.912
bonds (distance) P-C4' energy: -93.483
flat angles C4'-P-C4' energy: -70.924
flat angles P-C4'-P energy: -53.345
tors. eta vs tors. theta energy: -73.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -1235.994000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1235.994000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1235.994000 (E_RNA)
where:
Base-Base interactions energy: -844.383
where: short stacking energy: -333.907
Base-Backbone interact. energy: 4.427
local terms energy: -396.037184
where:
bonds (distance) C4'-P energy: -79.393
bonds (distance) P-C4' energy: -72.268
flat angles C4'-P-C4' energy: -88.075
flat angles P-C4'-P energy: -75.512
tors. eta vs tors. theta energy: -80.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -811.982647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -811.982647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -811.982647 (E_RNA)
where:
Base-Base interactions energy: -506.841
where: short stacking energy: -247.967
Base-Backbone interact. energy: 0.884
local terms energy: -306.025761
where:
bonds (distance) C4'-P energy: -81.916
bonds (distance) P-C4' energy: -82.419
flat angles C4'-P-C4' energy: -71.224
flat angles P-C4'-P energy: -41.323
tors. eta vs tors. theta energy: -29.144
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: 1, replica: 2
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -1970.320067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1970.320067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1970.320067 (E_RNA)
where:
Base-Base interactions energy: -1415.293
where: short stacking energy: -575.923
Base-Backbone interact. energy: -3.347
local terms energy: -551.680110
where:
bonds (distance) C4'-P energy: -99.546
bonds (distance) P-C4' energy: -95.361
flat angles C4'-P-C4' energy: -122.553
flat angles P-C4'-P energy: -76.948
tors. eta vs tors. theta energy: -157.272
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: 1
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -1909.546022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1909.546022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1909.546022 (E_RNA)
where:
Base-Base interactions energy: -1382.984
where: short stacking energy: -538.270
Base-Backbone interact. energy: 0.015
local terms energy: -526.577448
where:
bonds (distance) C4'-P energy: -97.898
bonds (distance) P-C4' energy: -97.493
flat angles C4'-P-C4' energy: -113.790
flat angles P-C4'-P energy: -75.601
tors. eta vs tors. theta energy: -141.795
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: 8
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -1836.713302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1836.713302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1836.713302 (E_RNA)
where:
Base-Base interactions energy: -1307.113
where: short stacking energy: -526.134
Base-Backbone interact. energy: -4.835
local terms energy: -524.765373
where:
bonds (distance) C4'-P energy: -97.127
bonds (distance) P-C4' energy: -93.313
flat angles C4'-P-C4' energy: -113.782
flat angles P-C4'-P energy: -79.894
tors. eta vs tors. theta energy: -140.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -1711.371830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1711.371830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1711.371830 (E_RNA)
where:
Base-Base interactions energy: -1181.214
where: short stacking energy: -494.623
Base-Backbone interact. energy: -0.431
local terms energy: -529.726665
where:
bonds (distance) C4'-P energy: -84.441
bonds (distance) P-C4' energy: -120.135
flat angles C4'-P-C4' energy: -114.874
flat angles P-C4'-P energy: -76.146
tors. eta vs tors. theta energy: -134.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -1561.603537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1561.603537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1561.603537 (E_RNA)
where:
Base-Base interactions energy: -1085.608
where: short stacking energy: -451.971
Base-Backbone interact. energy: -1.210
local terms energy: -474.785481
where:
bonds (distance) C4'-P energy: -78.323
bonds (distance) P-C4' energy: -98.101
flat angles C4'-P-C4' energy: -103.445
flat angles P-C4'-P energy: -69.573
tors. eta vs tors. theta energy: -125.343
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: 6, replica: 9
=====================================
Write number: 500
Temperature: 1.150000
Total energy: -1503.018896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1503.018896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1503.018896 (E_RNA)
where:
Base-Base interactions energy: -1045.301
where: short stacking energy: -447.667
Base-Backbone interact. energy: 1.428
local terms energy: -459.146653
where:
bonds (distance) C4'-P energy: -85.951
bonds (distance) P-C4' energy: -98.815
flat angles C4'-P-C4' energy: -101.072
flat angles P-C4'-P energy: -60.529
tors. eta vs tors. theta energy: -112.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -1530.788362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1530.788362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1530.788362 (E_RNA)
where:
Base-Base interactions energy: -1096.461
where: short stacking energy: -431.010
Base-Backbone interact. energy: 3.474
local terms energy: -437.800494
where:
bonds (distance) C4'-P energy: -94.928
bonds (distance) P-C4' energy: -84.906
flat angles C4'-P-C4' energy: -87.671
flat angles P-C4'-P energy: -64.987
tors. eta vs tors. theta energy: -105.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -1237.857338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1237.857338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1237.857338 (E_RNA)
where:
Base-Base interactions energy: -876.392
where: short stacking energy: -370.546
Base-Backbone interact. energy: 1.132
local terms energy: -362.597710
where:
bonds (distance) C4'-P energy: -80.017
bonds (distance) P-C4' energy: -73.063
flat angles C4'-P-C4' energy: -88.540
flat angles P-C4'-P energy: -51.263
tors. eta vs tors. theta energy: -69.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -1218.848914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1218.848914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1218.848914 (E_RNA)
where:
Base-Base interactions energy: -837.942
where: short stacking energy: -346.748
Base-Backbone interact. energy: -1.322
local terms energy: -379.585822
where:
bonds (distance) C4'-P energy: -81.921
bonds (distance) P-C4' energy: -82.688
flat angles C4'-P-C4' energy: -98.215
flat angles P-C4'-P energy: -41.556
tors. eta vs tors. theta energy: -75.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -801.614099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -801.614099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -801.614099 (E_RNA)
where:
Base-Base interactions energy: -506.871
where: short stacking energy: -236.103
Base-Backbone interact. energy: 2.869
local terms energy: -297.612171
where:
bonds (distance) C4'-P energy: -58.305
bonds (distance) P-C4' energy: -87.415
flat angles C4'-P-C4' energy: -79.206
flat angles P-C4'-P energy: -42.790
tors. eta vs tors. theta energy: -29.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -1946.903525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1946.903525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1946.903525 (E_RNA)
where:
Base-Base interactions energy: -1399.912
where: short stacking energy: -553.857
Base-Backbone interact. energy: -2.120
local terms energy: -544.872022
where:
bonds (distance) C4'-P energy: -100.319
bonds (distance) P-C4' energy: -100.808
flat angles C4'-P-C4' energy: -114.173
flat angles P-C4'-P energy: -79.912
tors. eta vs tors. theta energy: -149.660
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: 1
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -1907.886516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1907.886516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1907.886516 (E_RNA)
where:
Base-Base interactions energy: -1386.969
where: short stacking energy: -536.876
Base-Backbone interact. energy: 2.802
local terms energy: -523.719124
where:
bonds (distance) C4'-P energy: -102.003
bonds (distance) P-C4' energy: -90.485
flat angles C4'-P-C4' energy: -110.441
flat angles P-C4'-P energy: -78.217
tors. eta vs tors. theta energy: -142.573
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: 8
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -1806.864391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1806.864391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1806.864391 (E_RNA)
where:
Base-Base interactions energy: -1275.465
where: short stacking energy: -509.589
Base-Backbone interact. energy: -2.013
local terms energy: -529.386510
where:
bonds (distance) C4'-P energy: -98.396
bonds (distance) P-C4' energy: -102.057
flat angles C4'-P-C4' energy: -107.733
flat angles P-C4'-P energy: -78.733
tors. eta vs tors. theta energy: -142.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -1708.020690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1708.020690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1708.020690 (E_RNA)
where:
Base-Base interactions energy: -1195.815
where: short stacking energy: -485.737
Base-Backbone interact. energy: 0.493
local terms energy: -512.698149
where:
bonds (distance) C4'-P energy: -87.800
bonds (distance) P-C4' energy: -96.916
flat angles C4'-P-C4' energy: -115.400
flat angles P-C4'-P energy: -81.356
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: 7
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -1581.663945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1581.663945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1581.663945 (E_RNA)
where:
Base-Base interactions energy: -1101.382
where: short stacking energy: -465.976
Base-Backbone interact. energy: 4.025
local terms energy: -484.306748
where:
bonds (distance) C4'-P energy: -86.844
bonds (distance) P-C4' energy: -99.642
flat angles C4'-P-C4' energy: -108.438
flat angles P-C4'-P energy: -71.284
tors. eta vs tors. theta energy: -118.099
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: 6, replica: 9
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -1488.991331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1488.991331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1488.991331 (E_RNA)
where:
Base-Base interactions energy: -1028.362
where: short stacking energy: -426.235
Base-Backbone interact. energy: 1.723
local terms energy: -462.352152
where:
bonds (distance) C4'-P energy: -90.162
bonds (distance) P-C4' energy: -105.406
flat angles C4'-P-C4' energy: -97.774
flat angles P-C4'-P energy: -60.600
tors. eta vs tors. theta energy: -108.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -1508.178926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1508.178926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1508.178926 (E_RNA)
where:
Base-Base interactions energy: -1087.161
where: short stacking energy: -435.436
Base-Backbone interact. energy: 0.346
local terms energy: -421.363872
where:
bonds (distance) C4'-P energy: -73.696
bonds (distance) P-C4' energy: -83.713
flat angles C4'-P-C4' energy: -98.891
flat angles P-C4'-P energy: -49.334
tors. eta vs tors. theta energy: -115.729
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: 8, replica: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -1230.279015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1230.279015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1230.279015 (E_RNA)
where:
Base-Base interactions energy: -840.299
where: short stacking energy: -357.546
Base-Backbone interact. energy: 1.662
local terms energy: -391.641528
where:
bonds (distance) C4'-P energy: -83.861
bonds (distance) P-C4' energy: -92.365
flat angles C4'-P-C4' energy: -82.178
flat angles P-C4'-P energy: -58.322
tors. eta vs tors. theta energy: -74.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -1234.625769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -1234.625769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -1234.625769 (E_RNA)
where:
Base-Base interactions energy: -846.211
where: short stacking energy: -330.336
Base-Backbone interact. energy: -0.245
local terms energy: -388.169905
where:
bonds (distance) C4'-P energy: -72.122
bonds (distance) P-C4' energy: -89.242
flat angles C4'-P-C4' energy: -100.099
flat angles P-C4'-P energy: -57.431
tors. eta vs tors. theta energy: -69.276
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: 10
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -808.017497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -808.017497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -808.017497 (E_RNA)
where:
Base-Base interactions energy: -504.935
where: short stacking energy: -233.859
Base-Backbone interact. energy: -0.887
local terms energy: -302.195972
where:
bonds (distance) C4'-P energy: -73.873
bonds (distance) P-C4' energy: -64.313
flat angles C4'-P-C4' energy: -86.001
flat angles P-C4'-P energy: -44.539
tors. eta vs tors. theta energy: -33.471
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)
replica 2 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 68650255
moves confirmed later: 72928717
all moves confirmed: 141578972
percent of confirmed moves: 17.697371
current total energy: -1844.009674
recalc. total energy: -1844.009674
replica 1 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 68652218
moves confirmed later: 72978855
all moves confirmed: 141631073
percent of confirmed moves: 17.703884
current total energy: -1805.731024
recalc. total energy: -1805.731024
replica 8 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 82813239
moves confirmed later: 91059472
all moves confirmed: 173872711
percent of confirmed moves: 21.734089
current total energy: -1678.910956
recalc. total energy: -1678.910956
replica 3 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 82626801
moves confirmed later: 90879905
all moves confirmed: 173506706
percent of confirmed moves: 21.688338
current total energy: -1606.031738
recalc. total energy: -1606.031738
replica 7 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 106938831
moves confirmed later: 122193622
all moves confirmed: 229132453
percent of confirmed moves: 28.641557
current total energy: -1507.550772
recalc. total energy: -1507.550772
replica 9 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 105529930
moves confirmed later: 120323453
all moves confirmed: 225853383
percent of confirmed moves: 28.231673
current total energy: -1365.597274
recalc. total energy: -1365.597274
replica 4 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 75225680
moves confirmed later: 81412169
all moves confirmed: 156637849
percent of confirmed moves: 19.579731
current total energy: -1431.080095
recalc. total energy: -1431.080095
replica 5 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 117629080
moves confirmed later: 135939979
all moves confirmed: 253569059
percent of confirmed moves: 31.696132
current total energy: -1184.251545
recalc. total energy: -1184.251545
replica 6 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 127398673
moves confirmed later: 148776201
all moves confirmed: 276174874
percent of confirmed moves: 34.521859
current total energy: -1078.819185
recalc. total energy: -1078.819185
replica 10 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 157934423
moves confirmed later: 187866785
all moves confirmed: 345801208
percent of confirmed moves: 43.225151
current total energy: -618.366309
recalc. total energy: -618.366309
out arg RESULTS//1/Denv1_dominio2_RNAco-039abbf2_01
Time of doing 8000000 iterations: 35353.552 seconds